5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

C25H17Cl2F3N8O — CID 24824727

IUPAC5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1nn(-c2ncccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1
InChIInChI=1S/C25H17Cl2F3N8O/c26-17-9-5-15(6-10-17)22-18(12-20-33-36-37-34-20)21(35-38(22)23-19(27)2-1-11-31-23)24(39)32-13-14-3-7-16(8-4-14)25(28,29)30/h1-11H,12-13H2,(H,32,39)(H,33,34,36,37)
InChIKeyFXZYLULQTVQTLV-UHFFFAOYSA-N
MW573.37 g/mol
LogP5.29
Rot. Bonds7

About 5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 24824727) has the molecular formula C25H17Cl2F3N8O and a molecular weight of 573.37 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID24824727
Molecular FormulaC25H17Cl2F3N8O
Molecular Weight573.37 g/mol
Exact Mass572.09
IUPAC Name5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1nn(-c2ncccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1
InChIInChI=1S/C25H17Cl2F3N8O/c26-17-9-5-15(6-10-17)22-18(12-20-33-36-37-34-20)21(35-38(22)23-19(27)2-1-11-31-23)24(39)32-13-14-3-7-16(8-4-14)25(28,29)30/h1-11H,12-13H2,(H,32,39)(H,33,34,36,37)
InChIKeyFXZYLULQTVQTLV-UHFFFAOYSA-N
XLogP5.29
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.37
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]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

Tetraniliprole
CID 56602311
N-[(3,4-dichlorophenyl)methyl]-1-(2,4-difluorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768479
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyrimidin-2-yl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)acetamide
CID 46226231
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyrimidin-2-yl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)acetimidamide
CID 46226232
5-(2-chloro-4-fluoro-5-(3-fluoropyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497013
N-(2-aminoethyl)-5-(2,4-dichloro-5-(pyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497050
5-(2-chloro-5-(3-fluoropyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497161
5-[[2-Chloro-5-(3-chloro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118505217
5-[(2-Chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 118505224
2-chloro-5-(1-methyl-1H-pyrazol-3-yl)-N-(1-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 91933847
4-chloro-2-fluoro-N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl) benzamide
CID 118538787
Pf-06815345
CID 121276853

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (CID 24824727) is 5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1nn(-c2ncccc2Cl)c(-c2ccc(Cl)cc2)c1Cc1nn[nH]n1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is FXZYLULQTVQTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2F3N8O/c26-17-9-5-15(6-10-17)22-18(12-20-33-36-37-34-20)21(35-38(22)23-19(27)2-1-11-31-23)24(39)32-13-14-3-7-16(8-4-14)25(28,29)30/h1-11H,12-13H2,(H,32,39)(H,33,34,36,37).
What are the key properties of 5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 573.37 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-4-(2H-tetrazol-5-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 24824727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).