2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile

C15H17N3O — CID 79412762

IUPAC2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile
SMILESCCCC(C#N)C(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N3O/c1-2-6-12(9-16)15(19)13-10-17-18(11-13)14-7-4-3-5-8-14/h3-5,7-8,10-12,15,19H,2,6H2,1H3
InChIKeyDYIDRDBYQZQFNO-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.85
Rot. Bonds5

About 2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile

2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile (PubChem CID 79412762) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile.

Molecular Properties

Compound Name2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile
PubChem CID79412762
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile
SMILESCCCC(C#N)C(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N3O/c1-2-6-12(9-16)15(19)13-10-17-18(11-13)14-7-4-3-5-8-14/h3-5,7-8,10-12,15,19H,2,6H2,1H3
InChIKeyDYIDRDBYQZQFNO-UHFFFAOYSA-N
XLogP2.85
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoate
CID 79367477
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
N-[1-(1-phenylpyrazol-4-yl)ethyl]hex-1-yn-3-amine
CID 106227178
1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol
CID 63895964
N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide
CID 99857495
2-[hydroxy-(1-methylpyrazol-4-yl)methyl]butanenitrile
CID 79137488
2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 79367084
2-(3-hydroxypropoxy)-2-(1-phenylpyrazol-4-yl)acetonitrile
CID 103376511
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125
[3-methyl-1-(1-phenylpyrazol-4-yl)hexyl]hydrazine
CID 105298119
N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 97247015
1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine
CID 105112397

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile?
The IUPAC name of 2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile (CID 79412762) is 2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile.
What is the SMILES notation for 2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile?
The canonical SMILES for 2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile is CCCC(C#N)C(O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile?
The InChIKey is DYIDRDBYQZQFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-6-12(9-16)15(19)13-10-17-18(11-13)14-7-4-3-5-8-14/h3-5,7-8,10-12,15,19H,2,6H2,1H3.
What are the key properties of 2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile?
2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile has a molecular weight of 255.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile is sourced from PubChem (CID 79412762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).