2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile

C11H17N3O — CID 114558131

IUPAC2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile
SMILESCCn1nccc1C(O)C(C)(C#N)CC
InChIInChI=1S/C11H17N3O/c1-4-11(3,8-12)10(15)9-6-7-13-14(9)5-2/h6-7,10,15H,4-5H2,1-3H3
InChIKeyIHBXTURXRXYTFC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.88
Rot. Bonds4

About 2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile

2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile (PubChem CID 114558131) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile
PubChem CID114558131
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile
SMILESCCn1nccc1C(O)C(C)(C#N)CC
InChIInChI=1S/C11H17N3O/c1-4-11(3,8-12)10(15)9-6-7-13-14(9)5-2/h6-7,10,15H,4-5H2,1-3H3
InChIKeyIHBXTURXRXYTFC-UHFFFAOYSA-N
XLogP1.88
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol
CID 112575208
2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile
CID 79137493
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116752129
2-[(3-chloro-4-methylphenyl)-hydroxymethyl]-2-methylbutanenitrile
CID 106819177
2-[(4-ethylphenyl)-hydroxymethyl]-2-methylbutanenitrile
CID 79136342
1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cycloheptane-1-carbonitrile
CID 114558118
1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile
CID 114558116
1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol
CID 65129474
2-(dimethylamino)-1-(2-ethylpyrazol-3-yl)ethanol
CID 79087393
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
CID 115858037
(2-ethylpyrazol-3-yl)-(4-propylphenyl)methanol
CID 114556918

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile?
The IUPAC name of 2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile (CID 114558131) is 2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile.
What is the SMILES notation for 2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile?
The canonical SMILES for 2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile is CCn1nccc1C(O)C(C)(C#N)CC.
What is the InChIKey of 2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile?
The InChIKey is IHBXTURXRXYTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-11(3,8-12)10(15)9-6-7-13-14(9)5-2/h6-7,10,15H,4-5H2,1-3H3.
What are the key properties of 2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile?
2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile has a molecular weight of 207.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile is sourced from PubChem (CID 114558131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).