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

C18H22N4O3 — CID 49055659

IUPACN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C18H22N4O3/c1-25-16-8-6-13(7-9-16)18(24)21-15-10-19-22(11-15)12-17(23)20-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyUEVQGZVGHVITSI-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.20
Rot. Bonds6

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

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide (PubChem CID 49055659) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
PubChem CID49055659
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C18H22N4O3/c1-25-16-8-6-13(7-9-16)18(24)21-15-10-19-22(11-15)12-17(23)20-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyUEVQGZVGHVITSI-UHFFFAOYSA-N
XLogP2.20
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055601
4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119292222
3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055697
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
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
CID 49055281
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide
CID 79270069
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19340083
4-(cyclohexylcarbamothioylamino)-N-(4-methoxyphenyl)benzamide
CID 8624627
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655
(E)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 49055235
6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 92632097

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide (CID 49055659) is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1.
What is the InChIKey of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide?
The InChIKey is UEVQGZVGHVITSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-16-8-6-13(7-9-16)18(24)21-15-10-19-22(11-15)12-17(23)20-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide?
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 49055659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).