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

C16H11FN4 — CID 22309810

IUPAC5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1c(-c2cccc(F)c2)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H11FN4/c17-12-6-4-5-11(9-12)15-14(10-18)16(19)21(20-15)13-7-2-1-3-8-13/h1-9H,19H2
InChIKeyRFYDFDKSBOVXCJ-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.13
Rot. Bonds2

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

5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile (PubChem CID 22309810) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
PubChem CID22309810
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1c(-c2cccc(F)c2)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H11FN4/c17-12-6-4-5-11(9-12)15-14(10-18)16(19)21(20-15)13-7-2-1-3-8-13/h1-9H,19H2
InChIKeyRFYDFDKSBOVXCJ-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-(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-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 22310011
5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309777
3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102826149
5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 132547191
5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22309951
5-amino-1-phenyl-3-(sulfanylmethyl)pyrazole-4-carbonitrile
CID 138811067
5-amino-1-(3-bromophenyl)-3-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 171397335
1,5-diamino-3-phenylpyrazole-4-carbonitrile
CID 174641016
5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102796273
5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile
CID 129248073

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile (CID 22309810) is 5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile is N#Cc1c(-c2cccc(F)c2)nn(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile?
The InChIKey is RFYDFDKSBOVXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c17-12-6-4-5-11(9-12)15-14(10-18)16(19)21(20-15)13-7-2-1-3-8-13/h1-9H,19H2.
What are the key properties of 5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile?
5-amino-3-(3-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-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 22309810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).