2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide

C18H17ClN4O — CID 137425618

IUPAC2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN4O/c1-20-17(13-3-2-4-15(19)9-13)18(24)23-16-7-5-12(6-8-16)14-10-21-22-11-14/h2-11,17,20H,1H3,(H,21,22)(H,23,24)
InChIKeyWAQYQUYNNZMGMN-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.63
Rot. Bonds5

About 2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide

2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 137425618) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID137425618
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN4O/c1-20-17(13-3-2-4-15(19)9-13)18(24)23-16-7-5-12(6-8-16)14-10-21-22-11-14/h2-11,17,20H,1H3,(H,21,22)(H,23,24)
InChIKeyWAQYQUYNNZMGMN-UHFFFAOYSA-N
XLogP3.63
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide 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-(1H-Pyrazol-4-yl)phenyl)-2-amino-2-(4-chlorophenyl)-acetamide
CID 46900281
N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide
CID 156027238
1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-amino-2-(3-chlorophenyl)ethanone
CID 16662116
(R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-fluorophenyl)propanamide
CID 46900277
1-[(3-chlorophenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565840
N-(4-(1H-Pyrazol-4-yl)phenyl)-3-phenylpropanamide
CID 70896884
1-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]-2-phenylethanone
CID 117671051
3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118239017
3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118239053
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 24793170
N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-chlorophenyl)-propanamide
CID 46900279
N-[(2S)-3-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 156779431

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (CID 137425618) is 2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is CNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is WAQYQUYNNZMGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-20-17(13-3-2-4-15(19)9-13)18(24)23-16-7-5-12(6-8-16)14-10-21-22-11-14/h2-11,17,20H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 137425618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).