5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide

C15H12Cl2F3N7O — CID 71765518

IUPAC5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2c(Cl)n[nH]c2C(F)(F)F)n[nH]c1Nc1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2F3N7O/c16-6-2-1-3-7(4-6)23-14-9(12(21)28)13(26-27-14)22-5-8-10(15(18,19)20)24-25-11(8)17/h1-4H,5H2,(H2,21,28)(H,24,25)(H3,22,23,26,27)
InChIKeyJBZHYDAXFZLKEY-UHFFFAOYSA-N
MW434.21 g/mol
LogP3.91
Rot. Bonds6

About 5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide

5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 71765518) has the molecular formula C15H12Cl2F3N7O and a molecular weight of 434.21 g/mol. Its IUPAC name is 5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide
PubChem CID71765518
Molecular FormulaC15H12Cl2F3N7O
Molecular Weight434.21 g/mol
Exact Mass433.04
IUPAC Name5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2c(Cl)n[nH]c2C(F)(F)F)n[nH]c1Nc1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2F3N7O/c16-6-2-1-3-7(4-6)23-14-9(12(21)28)13(26-27-14)22-5-8-10(15(18,19)20)24-25-11(8)17/h1-4H,5H2,(H2,21,28)(H,24,25)(H3,22,23,26,27)
InChIKeyJBZHYDAXFZLKEY-UHFFFAOYSA-N
XLogP3.91
TPSA124.51 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.21
LogP ≤ 53.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-3-((3-chloro-4-fluorophenyl)amino)-N-phenyl-1h-pyrazole-4-carboxamide
CID 164608597
5-amino-N-(3-chloro-4-fluorophenyl)-3-((3-chlorophenyl)amino)-1h-pyrazole-4-carboxamide
CID 164608622
5-(3-chloroanilino)-3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-1H-pyrazole-4-carbonitrile
CID 71735990
5-(3-chloroanilino)-3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]-1H-pyrazole-4-carbonitrile
CID 71765336
5-(3-chloroanilino)-3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide
CID 71765484
5-(3-chloroanilino)-3-[(2-chloro-6-fluorophenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 71765517
5-amino-3-((3-chloro-4-fluorophenyl)amino)-1H-pyrazole-4-carboxamide
CID 86701885
5-(3-chloroanilino)-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide
CID 89820472
5-(3-chloroanilino)-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide
CID 89821670
5-(4-chloroanilino)-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide
CID 89821812
5-(3-chloroanilino)-3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-1H-pyrazole-4-carboxamide
CID 89850747
5-(3-chloroanilino)-3-[(2-chloro-6-fluorophenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 89850748

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide (CID 71765518) is 5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCc2c(Cl)n[nH]c2C(F)(F)F)n[nH]c1Nc1cccc(Cl)c1.
What is the InChIKey of 5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is JBZHYDAXFZLKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3N7O/c16-6-2-1-3-7(4-6)23-14-9(12(21)28)13(26-27-14)22-5-8-10(15(18,19)20)24-25-11(8)17/h1-4H,5H2,(H2,21,28)(H,24,25)(H3,22,23,26,27).
What are the key properties of 5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide?
5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 434.21 g/mol, XLogP of 3.91, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-3-[[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71765518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).