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

C11H8F3N5 — CID 10515945

IUPAC5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1N
InChIInChI=1S/C11H8F3N5/c12-11(13,14)6-1-3-7(4-2-6)17-10-8(5-15)9(16)18-19-10/h1-4H,(H4,16,17,18,19)
InChIKeyOUFCPJKDIVSGLS-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.63
Rot. Bonds2

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

5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile (PubChem CID 10515945) has the molecular formula C11H8F3N5 and a molecular weight of 267.21 g/mol. Its IUPAC name is 5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
PubChem CID10515945
Molecular FormulaC11H8F3N5
Molecular Weight267.21 g/mol
Exact Mass267.07
IUPAC Name5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1N
InChIInChI=1S/C11H8F3N5/c12-11(13,14)6-1-3-7(4-2-6)17-10-8(5-15)9(16)18-19-10/h1-4H,(H4,16,17,18,19)
InChIKeyOUFCPJKDIVSGLS-UHFFFAOYSA-N
XLogP2.63
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-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-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile (CID 10515945) is 5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile is N#Cc1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1N.
What is the InChIKey of 5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The InChIKey is OUFCPJKDIVSGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5/c12-11(13,14)6-1-3-7(4-2-6)17-10-8(5-15)9(16)18-19-10/h1-4H,(H4,16,17,18,19).
What are the key properties of 5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile has a molecular weight of 267.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 10515945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).