1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile

C7H9N3O — CID 130636316

IUPAC1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(CCO)cc1C#N
InChIInChI=1S/C7H9N3O/c1-6-7(4-8)5-10(9-6)2-3-11/h5,11H,2-3H2,1H3
InChIKeyJHAVGSJOKWLAOV-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.06
Rot. Bonds2

About 1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile

1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile (PubChem CID 130636316) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile
PubChem CID130636316
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(CCO)cc1C#N
InChIInChI=1S/C7H9N3O/c1-6-7(4-8)5-10(9-6)2-3-11/h5,11H,2-3H2,1H3
InChIKeyJHAVGSJOKWLAOV-UHFFFAOYSA-N
XLogP0.06
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 19621865
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methanol
CID 786252
2-[4-(aminomethyl)-3-methyl-1H-pyrazol-1-yl]ethan-1-ol hydrochloride
CID 137951156
2-(3-methyl-1H-pyrazol-1-yl)ethan-1-ol hydrochloride
CID 137971641
1,5-dimethyl-1H-pyrazole-4-carbonitrile
CID 4913196
1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 19620695
2-(4,5-Dimethylpyrazol-1-yl)ethanol
CID 58514590
2-[4-Methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514586
2-[4-Methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514749
2-[4-(Aminomethyl)-3-methyl-1H-pyrazol-1-YL]ethan-1-OL
CID 82651857
3-(Fluoromethyl)-1-methylpyrazole-4-carbonitrile
CID 88974079
1-(3,4-Dimethylpyrazol-1-yl)-4,4,4-trifluorobutan-2-ol
CID 139409478

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile?
The IUPAC name of 1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile (CID 130636316) is 1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile is Cc1nn(CCO)cc1C#N.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile?
The InChIKey is JHAVGSJOKWLAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-6-7(4-8)5-10(9-6)2-3-11/h5,11H,2-3H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile?
1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile has a molecular weight of 151.17 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 130636316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).