5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

C17H10ClF3N4 — CID 22309941

IUPAC5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(C(F)(F)F)cc2)nn(-c2ccccc2Cl)c1N
InChIInChI=1S/C17H10ClF3N4/c18-13-3-1-2-4-14(13)25-16(23)12(9-22)15(24-25)10-5-7-11(8-6-10)17(19,20)21/h1-8H,23H2
InChIKeyGEZXMLNEMIAOSH-UHFFFAOYSA-N
MW362.74 g/mol
LogP4.67
Rot. Bonds2

About 5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile (PubChem CID 22309941) has the molecular formula C17H10ClF3N4 and a molecular weight of 362.74 g/mol. Its IUPAC name is 5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
PubChem CID22309941
Molecular FormulaC17H10ClF3N4
Molecular Weight362.74 g/mol
Exact Mass362.05
IUPAC Name5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(C(F)(F)F)cc2)nn(-c2ccccc2Cl)c1N
InChIInChI=1S/C17H10ClF3N4/c18-13-3-1-2-4-14(13)25-16(23)12(9-22)15(24-25)10-5-7-11(8-6-10)17(19,20)21/h1-8H,23H2
InChIKeyGEZXMLNEMIAOSH-UHFFFAOYSA-N
XLogP4.67
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22309951
5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 24902916
1,5-diamino-3-phenylpyrazole-4-carbonitrile
CID 174641016
3,5-diamino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22618350
5-amino-1-(3-bromophenyl)-3-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 171397335
5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile
CID 129248073
5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22309905
5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfanylpyrazole-3-carbonitrile
CID 18005349
5-amino-3-(4-bromophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 129248129
5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309810
2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 136642954
5-amino-3-(4-propan-2-ylphenyl)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carbonitrile
CID 166820648

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile (CID 22309941) is 5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile is N#Cc1c(-c2ccc(C(F)(F)F)cc2)nn(-c2ccccc2Cl)c1N.
What is the InChIKey of 5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The InChIKey is GEZXMLNEMIAOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N4/c18-13-3-1-2-4-14(13)25-16(23)12(9-22)15(24-25)10-5-7-11(8-6-10)17(19,20)21/h1-8H,23H2.
What are the key properties of 5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile has a molecular weight of 362.74 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 22309941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).