1- (2-Hydroxyethyl) -1H-pyrazole

CAT: 0127-OR11946-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR11946-01Size:250 mg

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CAS Number

6314-23-4

Synonyms

2- (1H-Pyrazol-1-yl) ethan-1-ol, 1-Hydroxy-2- (1H-pyrazol-1-yl) ethane

MDL Number

MFCD00046076

Purity

=95%

Smiles

OCCn1cccn1

Storage Conditions

Store at 2-8°C

Chemical Information

1-(2-Hydroxyethyl)-1H-pyrazole

CAS Number	6314-23-4
PubChem CID	237031
IUPAC Name	2-pyrazol-1-ylethanol
Molecular Formula	C5H8N2O
Molecular Weight	112.13
XLogP	-1.1
Topological Polar Surface Area	38.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	67

SMILES

C1=CN(N=C1)CCO

InChI

InChI=1S/C5H8N2O/c8-5-4-7-3-1-2-6-7/h1-3,8H,4-5H2

InChIKey

DXFBKDSQMUFYLD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6314-23-4

CID: 237031

Formula: C5H8N2O

MW: 112.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.13
XLogP3	-1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	112.063662883
Monoisotopic Mass	112.063662883
Topological Polar Surface Area	38.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	67.4
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
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Catalog	Name
ZYC28380-01	1- (2-Hydroxyethyl) -1H-pyrazole-4-carboxamide
ZFA13942-01	1- (2-Hydroxyethyl) -1H-pyrazole-4-carbonitrile
FH135138-01	1- (2-Hydroxyethyl) -1H-pyrazole-5-carboxylic acid
TMD06067-01	1- (2-Hydroxyethyl) -1H-pyrazole-4-carboximidamide hydrochloride
GQB46947-01	1- (2-Hydroxyethyl) -1H-pyrazole-4-carboxylic acid
VLC50641-01	Methyl 1- (2-hydroxyethyl) -1H-pyrazole-4-carboxylate
sc-472254	1- (2-Hydroxyethyl) -3-methyl-1H-pyrazole-4-carbaldehyde
ICA04652-01	5-Amino-1- (2-hydroxyethyl) -1H-pyrazole-4-carboxamide
ZYC40791-01	1- (2-Hydroxyethyl) -3-methyl-1H-pyrazole-4-carbonitrile
MKD56012-01	1- (2-Hydroxyethyl) -1H-pyrazole-4-carboxylic acid hydrochloride