4- (4-Methyl-1H-pyrazol-1-yl) cyclohexanone

CAT: 0127-OR1004518Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1004518Size:1 g

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CAS Number

1252607-48-9

MDL Number

MFCD24712633

Purity

95%

Smiles

Cc1cnn(c1)C1CCC(=O)CC1

Chemical Information

4-(4-Methyl-1H-pyrazol-1-yl)cyclohexanone

CAS Number	1252607-48-9
PubChem CID	59541131
IUPAC Name	4-(4-methylpyrazol-1-yl)cyclohexan-1-one
Molecular Formula	C10H14N2O
Molecular Weight	178.23
XLogP	0.7
Topological Polar Surface Area	34.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	195

SMILES

CC1=CN(N=C1)C2CCC(=O)CC2

InChI

InChI=1S/C10H14N2O/c1-8-6-11-12(7-8)9-2-4-10(13)5-3-9/h6-7,9H,2-5H2,1H3

InChIKey

YECXIAXNZCMOND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1252607-48-9

CID: 59541131

Formula: C10H14N2O

MW: 178.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.23
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	178.110613074
Monoisotopic Mass	178.110613074
Topological Polar Surface Area	34.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	195
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR76880-01	4- (4-Iodo-1H-pyrazol-1-yl) cyclohexanone
OR1088673-01	4- ((1-methyl-1H-pyrazol-4-yl) methyl) benzaldehyde
OR84088-01	4- (4-Methyl-1h-pyrazol-1-yl) benzaldehyde
OR1081158-01	4- (1-Methyl-1H-pyrazol-4-yl) phenol
OR1058298-01	4- (1-Methyl-1H-pyrazol-4-yl) benzaldehyde
OR1098707-01	4- (1-Methyl-1H-pyrazol-4-yl) benzenemethanol
OR1098826-01	4- (1-Methyl-1H-pyrazol-4-yl) quinoline
OR15112	Methyl 4- (1H-pyrazol-1-yl) benzoate
OR1039922-01	(5-Methyl-1h-pyrazol-4-yl) methanol
OR1066903-01	Methyl 2- (1H-pyrazol-4-yl) acetate

Catalog	Name
TRC-M187835-100MG	2-(1-Methyl-1H-pyrazol-4-yl)cyclohexanone
432668-01	4-Hydroxy-4- (1-methyl-1H-pyrazol-4-yl) cyclohexanone
TRC-H949778-500MG	4-Hydroxy-4-(1-methyl-1H-pyrazol-4-yl)cyclohexanone
429222	4- (4-Methyl-1-piperazinyl) -cyclohexanone
429626-01	4- (Morpholin-4-yl) cyclohexanone
TRC-M723710-100MG	4-(Morpholin-4-yl)cyclohexanone
sc-228051	Ethyl 4-methyl-2-cyclohexanone-1-carboxylate
sc-304488	2- (1H-1,2,4-Triazol-1-ylmethyl) cyclohexanone
432669-01	4-Hydroxy-4- (pyridin-2-yl) cyclohexanone
TRC-H953805-500MG	4-Hydroxy-4-(pyridin-2-yl)cyclohexanone