5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile

C16H11FN4 — CID 22309777

IUPAC5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2F)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H11FN4/c17-14-9-5-4-8-12(14)15-13(10-18)16(19)21(20-15)11-6-2-1-3-7-11/h1-9H,19H2
InChIKeyGPQWBIYTANCIIE-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.13
Rot. Bonds2

About 5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile

5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile (PubChem CID 22309777) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
PubChem CID22309777
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2F)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H11FN4/c17-14-9-5-4-8-12(14)15-13(10-18)16(19)21(20-15)11-6-2-1-3-7-11/h1-9H,19H2
InChIKeyGPQWBIYTANCIIE-UHFFFAOYSA-N
XLogP3.13
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22309790
5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 22310011
5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309810
5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 22310006
5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 2851488
5-amino-1-phenyl-3-(sulfanylmethyl)pyrazole-4-carbonitrile
CID 138811067
5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 132547191
5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
CID 22309822
5-amino-3-(4-bromophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 129248129
5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22309951
3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102826149
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 38785002

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile (CID 22309777) is 5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile is N#Cc1c(-c2ccccc2F)nn(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile?
The InChIKey is GPQWBIYTANCIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c17-14-9-5-4-8-12(14)15-13(10-18)16(19)21(20-15)11-6-2-1-3-7-11/h1-9H,19H2.
What are the key properties of 5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile?
5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile has a molecular weight of 278.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 22309777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).