5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile

C12H11N3 — CID 121212676

IUPAC5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile
SMILESCCc1[nH]nc(-c2ccccc2)c1C#N
InChIInChI=1S/C12H11N3/c1-2-11-10(8-13)12(15-14-11)9-6-4-3-5-7-9/h3-7H,2H2,1H3,(H,14,15)
InChIKeyFQCHBEPNZWKYDU-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.51
Rot. Bonds2

About 5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile

5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile (PubChem CID 121212676) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile
PubChem CID121212676
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile
SMILESCCc1[nH]nc(-c2ccccc2)c1C#N
InChIInChI=1S/C12H11N3/c1-2-11-10(8-13)12(15-14-11)9-6-4-3-5-7-9/h3-7H,2H2,1H3,(H,14,15)
InChIKeyFQCHBEPNZWKYDU-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-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
CID 121212601
5-ethyl-4-methyl-3-phenyl-1H-pyrazole
CID 134439971
3-[3-(4-cyano-5-phenyl-1H-pyrazol-3-yl)phenyl]-5-phenyl-1H-pyrazole-4-carbonitrile
CID 118532822
2-ethyl-4,6-diphenylpyridine-3-carbonitrile
CID 102404081
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile
CID 121212239
N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847112
4-ethyl-3-phenyl-5-(4-phenylphenyl)-1H-pyrazole
CID 134304912
5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carbonitrile
CID 121212221
3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 132530624
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
CID 76847130

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile (CID 121212676) is 5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile is CCc1[nH]nc(-c2ccccc2)c1C#N.
What is the InChIKey of 5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile?
The InChIKey is FQCHBEPNZWKYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-2-11-10(8-13)12(15-14-11)9-6-4-3-5-7-9/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile?
5-ethyl-3-phenyl-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-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 121212676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).