4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide

C14H17ClN4O — CID 115989561

IUPAC4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide
SMILESCCc1nn(C)cc1CNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C14H17ClN4O/c1-3-12-10(8-19(2)18-12)7-17-13-6-9(14(16)20)4-5-11(13)15/h4-6,8,17H,3,7H2,1-2H3,(H2,16,20)
InChIKeyRYJYPVNHVJWEAN-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.35
Rot. Bonds5

About 4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide

4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide (PubChem CID 115989561) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide
PubChem CID115989561
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide
SMILESCCc1nn(C)cc1CNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C14H17ClN4O/c1-3-12-10(8-19(2)18-12)7-17-13-6-9(14(16)20)4-5-11(13)15/h4-6,8,17H,3,7H2,1-2H3,(H2,16,20)
InChIKeyRYJYPVNHVJWEAN-UHFFFAOYSA-N
XLogP2.35
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]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-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 43780079
3-chloro-4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 115991762
5-chloro-6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133444908
4-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43679399
4-chloro-3-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 126842201
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-fluorobenzoic acid
CID 115991752
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66398095
1-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-nitrophenyl]ethanone
CID 133444954
4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoroaniline
CID 112668861
4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43679573
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408
N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide
CID 115989688

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide?
The IUPAC name of 4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide (CID 115989561) is 4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for 4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide is CCc1nn(C)cc1CNc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide?
The InChIKey is RYJYPVNHVJWEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-12-10(8-19(2)18-12)7-17-13-6-9(14(16)20)4-5-11(13)15/h4-6,8,17H,3,7H2,1-2H3,(H2,16,20).
What are the key properties of 4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide?
4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide has a molecular weight of 292.77 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 115989561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).