N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide

C27H22ClN5O — CID 19473450

IUPACN-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nn(Cc3ccccc3)cc2Cl)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C27H22ClN5O/c1-19-24(25(21-13-7-3-8-14-21)30-33(19)22-15-9-4-10-16-22)27(34)29-26-23(28)18-32(31-26)17-20-11-5-2-6-12-20/h2-16,18H,17H2,1H3,(H,29,31,34)
InChIKeyJTBDZRXVJFEDEH-UHFFFAOYSA-N
MW467.96 g/mol
LogP6.00
Rot. Bonds6

About N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide

N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19473450) has the molecular formula C27H22ClN5O and a molecular weight of 467.96 g/mol. Its IUPAC name is N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19473450
Molecular FormulaC27H22ClN5O
Molecular Weight467.96 g/mol
Exact Mass467.15
IUPAC NameN-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nn(Cc3ccccc3)cc2Cl)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C27H22ClN5O/c1-19-24(25(21-13-7-3-8-14-21)30-33(19)22-15-9-4-10-16-22)27(34)29-26-23(28)18-32(31-26)17-20-11-5-2-6-12-20/h2-16,18H,17H2,1H3,(H,29,31,34)
InChIKeyJTBDZRXVJFEDEH-UHFFFAOYSA-N
XLogP6.00
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.96
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-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

N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473442
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477710
N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
CID 19400825
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19284247
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide
CID 19400769
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 998979
N-(1-benzyl-4-chloropyrazol-3-yl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 19263402
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 24610608
N-(1-benzyl-4-chloropyrazol-3-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474346
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281350
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19407354

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide (CID 19473450) is N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2nn(Cc3ccccc3)cc2Cl)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is JTBDZRXVJFEDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN5O/c1-19-24(25(21-13-7-3-8-14-21)30-33(19)22-15-9-4-10-16-22)27(34)29-26-23(28)18-32(31-26)17-20-11-5-2-6-12-20/h2-16,18H,17H2,1H3,(H,29,31,34).
What are the key properties of N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 467.96 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19473450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).