4-Hydroxymethyl-1-Methylpyrazole

CAT: 0127-OR1011569-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1011569-01Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

112029-98-8

MDL Number

MFCD28129042

Purity

97%

Smiles

Cn1cc(CO)cn1

Chemical Information

(1-methyl-1H-pyrazol-4-yl)methanol

CAS Number	112029-98-8
PubChem CID	11961423
IUPAC Name	(1-methylpyrazol-4-yl)methanol
Molecular Formula	C5H8N2O
Molecular Weight	112.13
XLogP	-0.7
Topological Polar Surface Area	38.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	76

SMILES

CN1C=C(C=N1)CO

InChI

InChI=1S/C5H8N2O/c1-7-3-5(4-8)2-6-7/h2-3,8H,4H2,1H3

InChIKey

QSXREDPBMQKKAY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112029-98-8

CID: 11961423

Formula: C5H8N2O

MW: 112.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.13
XLogP3	-0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	112.063662883
Monoisotopic Mass	112.063662883
Topological Polar Surface Area	38.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	76.8
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
OR480607-01	4-Methylpyrazole
OR92649-01	1- (4-Bromophenyl) -3-methylpyrazole
OR6359	3- (4-Aminophenyl) -4-bromo-1-methylpyrazole
OR361467-01	1-Methylpyrazole-4-boronic acid hydrochloride
OR1080027	1-BOC-4-Bromo-3-methylpyrazole
OR910425-01	Tert-Butyl 4-methylpyrazole-1-carboxylate
OR471263	5-Amino-4- (aminomethyl) -1-methylpyrazole
OR94768-01	5-chloro-1-methylpyrazole-4-carbonitrile
OR471533-01	5-Bromo-1-methylpyrazole-4-carbonitrile
OR3033	5-Amino-1-methylpyrazole-4-carboxamide

Catalog	Name
FM36058-01	4-Methylpyrazole
abx182040-01	4-Aminomethyl-1-methylpyrazole
FI75464-01	4-Iodo-1-methylpyrazole
abx183502-01	4-Amino-1-methylpyrazole
sc-224758	1-Methylpyrazole
KDA29080	Ethyl 1-methylpyrazole-4-carboxylate
sc-214254A	4-Methylpyrazole hydrochloride
428687-01	4- (2,2-Dibromoethenyl) -1-methylpyrazole
259310-01	5-Amino-4-cyano-1-methylpyrazole
sc-293501	1-Methylpyrazole-4-boronic acid, HCl