N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide

C18H16ClN3O — CID 5214847

IUPACN-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C18H16ClN3O/c1-13-11-17(22(21-13)15-8-3-2-4-9-15)18(23)20-12-14-7-5-6-10-16(14)19/h2-11H,12H2,1H3,(H,20,23)
InChIKeyDQYMIONQNKQPTK-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.76
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide

N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 5214847) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID5214847
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C18H16ClN3O/c1-13-11-17(22(21-13)15-8-3-2-4-9-15)18(23)20-12-14-7-5-6-10-16(14)19/h2-11H,12H2,1H3,(H,20,23)
InChIKeyDQYMIONQNKQPTK-UHFFFAOYSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-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

Tebufenpyrad
CID 86354
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-pentyl-1H-pyrazole-3-carboxamide
CID 9868408
Xrp44X
CID 10339779
Cathepsin inhibitor 1
CID 44224135
N5-(4-methylphenyl)-1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxamide
CID 2744532
N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
CID 2747052
N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 2747053
4-chloro-N-(4-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 1231799
1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 24962989
2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one
CID 42617975
Dipeptidyl nitrile inhibitor, 19
CID 44224129

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide (CID 5214847) is N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is DQYMIONQNKQPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-13-11-17(22(21-13)15-8-3-2-4-9-15)18(23)20-12-14-7-5-6-10-16(14)19/h2-11H,12H2,1H3,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 5214847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).