2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile

C12H11N3 — CID 117287094

IUPAC2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile
SMILESCc1ccnn1-c1ccc(CC#N)cc1
InChIInChI=1S/C12H11N3/c1-10-7-9-14-15(10)12-4-2-11(3-5-12)6-8-13/h2-5,7,9H,6H2,1H3
InChIKeyDTYDTKGZIZURLS-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.25
Rot. Bonds2

About 2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile

2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile (PubChem CID 117287094) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile
PubChem CID117287094
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile
SMILESCc1ccnn1-c1ccc(CC#N)cc1
InChIInChI=1S/C12H11N3/c1-10-7-9-14-15(10)12-4-2-11(3-5-12)6-8-13/h2-5,7,9H,6H2,1H3
InChIKeyDTYDTKGZIZURLS-UHFFFAOYSA-N
XLogP2.25
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetonitrile
CID 4962802
5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146
1-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperazine
CID 117394628
[4-(5-methylpyrazol-1-yl)phenyl]boronic acid
CID 164783046
2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile
CID 79884933
2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine
CID 117307089
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
5-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 174605687
2-(2,2-dimethylpropoxy)-5-(5-methylpyrazol-1-yl)benzonitrile
CID 141027563
N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9270477
(2-cyanophenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate
CID 8641051
2-[4-(1-methylimidazol-2-yl)phenyl]acetonitrile
CID 84774362

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile (CID 117287094) is 2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile is Cc1ccnn1-c1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile?
The InChIKey is DTYDTKGZIZURLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-10-7-9-14-15(10)12-4-2-11(3-5-12)6-8-13/h2-5,7,9H,6H2,1H3.
What are the key properties of 2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile?
2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylpyrazol-1-yl)phenyl]acetonitrile is sourced from PubChem (CID 117287094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).