5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile

C12H11N3 — CID 39096341

IUPAC5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile
SMILESCCc1ccc(-c2[nH]ncc2C#N)cc1
InChIInChI=1S/C12H11N3/c1-2-9-3-5-10(6-4-9)12-11(7-13)8-14-15-12/h3-6,8H,2H2,1H3,(H,14,15)
InChIKeyQMQUGHGMSPFRPY-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.51
Rot. Bonds2

About 5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile

5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile (PubChem CID 39096341) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile
PubChem CID39096341
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile
SMILESCCc1ccc(-c2[nH]ncc2C#N)cc1
InChIInChI=1S/C12H11N3/c1-2-9-3-5-10(6-4-9)12-11(7-13)8-14-15-12/h3-6,8H,2H2,1H3,(H,14,15)
InChIKeyQMQUGHGMSPFRPY-UHFFFAOYSA-N
XLogP2.51
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 61395345
5-ethyl-1H-pyrazole-4-carbonitrile
CID 82650960
5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile
CID 164945787
N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79485257
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline
CID 112839432
5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile
CID 14455646
5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 59930384
6-(4-ethylphenyl)-2-methylpyridine-3-carbonitrile
CID 82452489
2-amino-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 62198217
5-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile
CID 39096346
5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile
CID 67841089

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile (CID 39096341) is 5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile is CCc1ccc(-c2[nH]ncc2C#N)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile?
The InChIKey is QMQUGHGMSPFRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-2-9-3-5-10(6-4-9)12-11(7-13)8-14-15-12/h3-6,8H,2H2,1H3,(H,14,15).
What are the key properties of 5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile?
5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 39096341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).