4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide

C21H28N4O3 — CID 49055601

IUPAC4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C21H28N4O3/c1-2-3-12-28-19-10-8-16(9-11-19)21(27)24-18-13-22-25(14-18)15-20(26)23-17-6-4-5-7-17/h8-11,13-14,17H,2-7,12,15H2,1H3,(H,23,26)(H,24,27)
InChIKeyNWFOKGOJRFVVFN-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.37
Rot. Bonds9

About 4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide

4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide (PubChem CID 49055601) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
PubChem CID49055601
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C21H28N4O3/c1-2-3-12-28-19-10-8-16(9-11-19)21(27)24-18-13-22-25(14-18)15-20(26)23-17-6-4-5-7-17/h8-11,13-14,17H,2-7,12,15H2,1H3,(H,23,26)(H,24,27)
InChIKeyNWFOKGOJRFVVFN-UHFFFAOYSA-N
XLogP3.37
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
CID 49055659
3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055697
4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119292222
4-acetyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide
CID 48952899
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
CID 49055281
4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24982875
N-cyclohexyl-4-propoxybenzamide
CID 4938429
N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820151
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 52518675

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide (CID 49055601) is 4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide is CCCCOc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1.
What is the InChIKey of 4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The InChIKey is NWFOKGOJRFVVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-2-3-12-28-19-10-8-16(9-11-19)21(27)24-18-13-22-25(14-18)15-20(26)23-17-6-4-5-7-17/h8-11,13-14,17H,2-7,12,15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 49055601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).