2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide

C23H22ClN5O — CID 19290303

IUPAC2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1)n1cc(Cl)cn1
InChIInChI=1S/C23H22ClN5O/c1-23(2,29-16-19(24)14-26-29)22(30)25-13-18-15-28(20-11-7-4-8-12-20)27-21(18)17-9-5-3-6-10-17/h3-12,14-16H,13H2,1-2H3,(H,25,30)
InChIKeyWARJGOJQXSSTDW-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.44
Rot. Bonds6

About 2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide

2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide (PubChem CID 19290303) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide
PubChem CID19290303
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1)n1cc(Cl)cn1
InChIInChI=1S/C23H22ClN5O/c1-23(2,29-16-19(24)14-26-29)22(30)25-13-18-15-28(20-11-7-4-8-12-20)27-21(18)17-9-5-3-6-10-17/h3-12,14-16H,13H2,1-2H3,(H,25,30)
InChIKeyWARJGOJQXSSTDW-UHFFFAOYSA-N
XLogP4.44
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide 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-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
CID 60604754
2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
CID 19520601
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
CID 67048003
CID 67048003
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19325028
3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19509375
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19288805
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 19262748
1-(cyclopropanecarbonyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 27864196
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
CID 42116246

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide (CID 19290303) is 2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide is CC(C)(C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide?
The InChIKey is WARJGOJQXSSTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-23(2,29-16-19(24)14-26-29)22(30)25-13-18-15-28(20-11-7-4-8-12-20)27-21(18)17-9-5-3-6-10-17/h3-12,14-16H,13H2,1-2H3,(H,25,30).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide?
2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide has a molecular weight of 419.92 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 19290303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).