5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

C11H7F3N4 — CID 12952992

IUPAC5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C11H7F3N4/c12-11(13,14)8-1-3-9(4-2-8)18-10(16)7(5-15)6-17-18/h1-4,6H,16H2
InChIKeyISQATKUECWOPHT-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.34
Rot. Bonds1

About 5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile (PubChem CID 12952992) has the molecular formula C11H7F3N4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
PubChem CID12952992
Molecular FormulaC11H7F3N4
Molecular Weight252.20 g/mol
Exact Mass252.06
IUPAC Name5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C11H7F3N4/c12-11(13,14)8-1-3-9(4-2-8)18-10(16)7(5-15)6-17-18/h1-4,6H,16H2
InChIKeyISQATKUECWOPHT-UHFFFAOYSA-N
XLogP2.34
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 639097
1-Phenylpyrazol-5-ylamine
CID 70006
5-amino-1-benzyl-1H-pyrazole-4-carbonitrile
CID 660147
5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile
CID 688685
5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 734496
1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile
CID 219732
5-Amino-1-(p-tolyl)pyrazole-4-carbonitrile
CID 2800424
5-Amino-1-(3-methylphenyl)-1H-pyrazole-4-carbonitrile
CID 660367
4-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2764841
4-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2764845
5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile
CID 79256

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile (CID 12952992) is 5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile is N#Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1N.
What is the InChIKey of 5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The InChIKey is ISQATKUECWOPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4/c12-11(13,14)8-1-3-9(4-2-8)18-10(16)7(5-15)6-17-18/h1-4,6H,16H2.
What are the key properties of 5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile has a molecular weight of 252.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 12952992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).