1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide

C23H17Cl2F3N6O — CID 46230699

IUPAC1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1
InChIInChI=1S/C23H17Cl2F3N6O/c24-15-7-5-14(6-8-15)20-16(11-33-13-29-12-30-33)19(21(35)31-22(9-10-22)23(26,27)28)32-34(20)18-4-2-1-3-17(18)25/h1-8,12-13H,9-11H2,(H,31,35)
InChIKeyRUKUBURGTHPQEF-UHFFFAOYSA-N
MW521.33 g/mol
LogP5.31
Rot. Bonds6

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide (PubChem CID 46230699) has the molecular formula C23H17Cl2F3N6O and a molecular weight of 521.33 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide
PubChem CID46230699
Molecular FormulaC23H17Cl2F3N6O
Molecular Weight521.33 g/mol
Exact Mass520.08
IUPAC Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1
InChIInChI=1S/C23H17Cl2F3N6O/c24-15-7-5-14(6-8-15)20-16(11-33-13-29-12-30-33)19(21(35)31-22(9-10-22)23(26,27)28)32-34(20)18-4-2-1-3-17(18)25/h1-8,12-13H,9-11H2,(H,31,35)
InChIKeyRUKUBURGTHPQEF-UHFFFAOYSA-N
XLogP5.31
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.33
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-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-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-phenylcyclopropyl)-4-(1,2,4-triazol-1-ylmethyl)pyrazole-3-carboxamide
CID 46231344
[1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 46231079
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-methylbutan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)pyrazole-3-carboxamide
CID 46231341
1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 42637819
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 46225009
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid
CID 69228973
4-[(2Z)-2-amino-2-hydroxyiminoethyl]-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 25024108
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
CID 25027058
ethyl 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]acetate
CID 59581377
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)pyrazol-4-yl]acetic acid
CID 67265364
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide
CID 46224977
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide
CID 16717851

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide (CID 46230699) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide is O=C(NC1(C(F)(F)F)CC1)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide?
The InChIKey is RUKUBURGTHPQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F3N6O/c24-15-7-5-14(6-8-15)20-16(11-33-13-29-12-30-33)19(21(35)31-22(9-10-22)23(26,27)28)32-34(20)18-4-2-1-3-17(18)25/h1-8,12-13H,9-11H2,(H,31,35).
What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide?
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide has a molecular weight of 521.33 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide is sourced from PubChem (CID 46230699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).