N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C23H14ClF4N7O — CID 134609862

IUPACN-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cc(-n2nccn2)c(Cl)cc1NC(=O)c1cnn(-c2cncc3c(F)cccc23)c1C(F)(F)F
InChIInChI=1S/C23H14ClF4N7O/c1-12-7-19(35-30-5-6-31-35)16(24)8-18(12)33-22(36)15-10-32-34(21(15)23(26,27)28)20-11-29-9-14-13(20)3-2-4-17(14)25/h2-11H,1H3,(H,33,36)
InChIKeyHVIFEOKIPKRCGW-UHFFFAOYSA-N
MW515.86 g/mol
LogP5.37
Rot. Bonds4

About N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609862) has the molecular formula C23H14ClF4N7O and a molecular weight of 515.86 g/mol. Its IUPAC name is N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609862
Molecular FormulaC23H14ClF4N7O
Molecular Weight515.86 g/mol
Exact Mass515.09
IUPAC NameN-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cc(-n2nccn2)c(Cl)cc1NC(=O)c1cnn(-c2cncc3c(F)cccc23)c1C(F)(F)F
InChIInChI=1S/C23H14ClF4N7O/c1-12-7-19(35-30-5-6-31-35)16(24)8-18(12)33-22(36)15-10-32-34(21(15)23(26,27)28)20-11-29-9-14-13(20)3-2-4-17(14)25/h2-11H,1H3,(H,33,36)
InChIKeyHVIFEOKIPKRCGW-UHFFFAOYSA-N
XLogP5.37
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.86
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)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

(4-(7-chloroquinolin-4-yl)piperazino)(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanone
CID 2823699
N-(5-chloro-2-methyl-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609745
N-(4-(4-(aminomethyl)-1H-pyrazol-1-yl)-3-methylphenyl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609795
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(2-fluoroquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609809
N-(3-cyano-4-(1H-1,2,3-triazol-1-yl)phenyl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609816
N-(5-chloro-6-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609817
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609820
1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)-N-(2-(trifluoromethyl)pyridin-4-yl)-1H-pyrazole-4-carboxamide
CID 134609821
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(3-fluoroquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609828
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(1-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609843
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(1-(1,1-difluoroethyl)isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609870
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(naphthalen-1-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609910

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609862) is N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1cc(-n2nccn2)c(Cl)cc1NC(=O)c1cnn(-c2cncc3c(F)cccc23)c1C(F)(F)F.
What is the InChIKey of N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is HVIFEOKIPKRCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF4N7O/c1-12-7-19(35-30-5-6-31-35)16(24)8-18(12)33-22(36)15-10-32-34(21(15)23(26,27)28)20-11-29-9-14-13(20)3-2-4-17(14)25/h2-11H,1H3,(H,33,36).
What are the key properties of N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 515.86 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).