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

C17H11F3N4 — CID 141451697

IUPAC5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
SMILESN#Cc1nn(-c2ccccc2)c(N)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)12-8-6-11(7-9-12)15-14(10-21)23-24(16(15)22)13-4-2-1-3-5-13/h1-9H,22H2
InChIKeyDQIUWNDJSBGYDC-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.01
Rot. Bonds2

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

5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile (PubChem CID 141451697) has the molecular formula C17H11F3N4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
PubChem CID141451697
Molecular FormulaC17H11F3N4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
SMILESN#Cc1nn(-c2ccccc2)c(N)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)12-8-6-11(7-9-12)15-14(10-21)23-24(16(15)22)13-4-2-1-3-5-13/h1-9H,22H2
InChIKeyDQIUWNDJSBGYDC-UHFFFAOYSA-N
XLogP4.01
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
The IUPAC name of 5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile (CID 141451697) is 5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile.
What is the SMILES notation for 5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
The canonical SMILES for 5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile is N#Cc1nn(-c2ccccc2)c(N)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
The InChIKey is DQIUWNDJSBGYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4/c18-17(19,20)12-8-6-11(7-9-12)15-14(10-21)23-24(16(15)22)13-4-2-1-3-5-13/h1-9H,22H2.
What are the key properties of 5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile?
5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile has a molecular weight of 328.30 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile is sourced from PubChem (CID 141451697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).