5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide

C20H18ClN7O — CID 26728785

IUPAC5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(-n4cnnn4)cc3)c2Cl)cc1
InChIInChI=1S/C20H18ClN7O/c1-13-3-5-15(6-4-13)11-27-19(21)18(14(2)24-27)20(29)23-16-7-9-17(10-8-16)28-12-22-25-26-28/h3-10,12H,11H2,1-2H3,(H,23,29)
InChIKeyVQIIPLBEKFOQAT-UHFFFAOYSA-N
MW407.87 g/mol
LogP3.43
Rot. Bonds5

About 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide

5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 26728785) has the molecular formula C20H18ClN7O and a molecular weight of 407.87 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
PubChem CID26728785
Molecular FormulaC20H18ClN7O
Molecular Weight407.87 g/mol
Exact Mass407.13
IUPAC Name5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(-n4cnnn4)cc3)c2Cl)cc1
InChIInChI=1S/C20H18ClN7O/c1-13-3-5-15(6-4-13)11-27-19(21)18(14(2)24-27)20(29)23-16-7-9-17(10-8-16)28-12-22-25-26-28/h3-10,12H,11H2,1-2H3,(H,23,29)
InChIKeyVQIIPLBEKFOQAT-UHFFFAOYSA-N
XLogP3.43
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]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-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18292119
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 46533344
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 55812614
5-chloro-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26246271
N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 46550260
N-[4-(carbamoylamino)phenyl]-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 33155398
5-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 52713102
1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 9225352
N-(1-tert-butylpyrazol-4-yl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 86860492
1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8893300
N-[4-(azepan-1-yl)phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 9279016
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 29201762

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide (CID 26728785) is 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide is Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(-n4cnnn4)cc3)c2Cl)cc1.
What is the InChIKey of 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is VQIIPLBEKFOQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN7O/c1-13-3-5-15(6-4-13)11-27-19(21)18(14(2)24-27)20(29)23-16-7-9-17(10-8-16)28-12-22-25-26-28/h3-10,12H,11H2,1-2H3,(H,23,29).
What are the key properties of 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 407.87 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 26728785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).