2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide

C21H20ClN3O2 — CID 19290508

IUPAC2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
SMILESCCn1ncc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C21H20ClN3O2/c1-3-25-14(2)16(13-24-25)12-23-21(27)19-7-5-4-6-18(19)20(26)15-8-10-17(22)11-9-15/h4-11,13H,3,12H2,1-2H3,(H,23,27)
InChIKeyCZXXUZDNSSSYQK-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.03
Rot. Bonds6

About 2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide

2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 19290508) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
PubChem CID19290508
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
SMILESCCn1ncc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C21H20ClN3O2/c1-3-25-14(2)16(13-24-25)12-23-21(27)19-7-5-4-6-18(19)20(26)15-8-10-17(22)11-9-15/h4-11,13H,3,12H2,1-2H3,(H,23,27)
InChIKeyCZXXUZDNSSSYQK-UHFFFAOYSA-N
XLogP4.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide 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-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290546
2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide
CID 19296874
2-(4-chlorobenzoyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340402
2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292438
1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea
CID 17378582
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide
CID 35762282
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19290408
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
CID 19322664
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19290411
2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide
CID 11841449
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]butanamide
CID 19290534

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide (CID 19290508) is 2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide is CCn1ncc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1C.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is CZXXUZDNSSSYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-3-25-14(2)16(13-24-25)12-23-21(27)19-7-5-4-6-18(19)20(26)15-8-10-17(22)11-9-15/h4-11,13H,3,12H2,1-2H3,(H,23,27).
What are the key properties of 2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide?
2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 381.86 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19290508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).