4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide

C21H23ClN4O — CID 44763412

IUPAC4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(-n2nc(-c3cccc(Cl)c3)cc2N)cc1
InChIInChI=1S/C21H23ClN4O/c1-2-3-4-12-24-21(27)15-8-10-18(11-9-15)26-20(23)14-19(25-26)16-6-5-7-17(22)13-16/h5-11,13-14H,2-4,12,23H2,1H3,(H,24,27)
InChIKeyRRQLRPRJDCFKJJ-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.69
Rot. Bonds7

About 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide

4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide (PubChem CID 44763412) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide.

Molecular Properties

Compound Name4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide
PubChem CID44763412
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(-n2nc(-c3cccc(Cl)c3)cc2N)cc1
InChIInChI=1S/C21H23ClN4O/c1-2-3-4-12-24-21(27)15-8-10-18(11-9-15)26-20(23)14-19(25-26)16-6-5-7-17(22)13-16/h5-11,13-14H,2-4,12,23H2,1H3,(H,24,27)
InChIKeyRRQLRPRJDCFKJJ-UHFFFAOYSA-N
XLogP4.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 44763355
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 44763350
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide
CID 44763130
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 44763704
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 2742747
1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
CID 42754567
4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 44763554
1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-pentylpyrazole-5-carboxamide
CID 4301084
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44763707
3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4274555
N-[[4-(butylcarbamoyl)phenyl]methyl]-2-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 78872472
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 44763242

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide?
The IUPAC name of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide (CID 44763412) is 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide.
What is the SMILES notation for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide?
The canonical SMILES for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide is CCCCCNC(=O)c1ccc(-n2nc(-c3cccc(Cl)c3)cc2N)cc1.
What is the InChIKey of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide?
The InChIKey is RRQLRPRJDCFKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-2-3-4-12-24-21(27)15-8-10-18(11-9-15)26-20(23)14-19(25-26)16-6-5-7-17(22)13-16/h5-11,13-14H,2-4,12,23H2,1H3,(H,24,27).
What are the key properties of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide?
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide has a molecular weight of 382.90 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide is sourced from PubChem (CID 44763412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).