[2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

C24H25N3O4 — CID 2357802

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C24H25N3O4/c1-30-20-13-7-8-17(14-20)23-21(15-27(26-23)19-11-3-2-4-12-19)24(29)31-16-22(28)25-18-9-5-6-10-18/h2-4,7-8,11-15,18H,5-6,9-10,16H2,1H3,(H,25,28)
InChIKeyXPVTWSUZXFGXLE-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.76
Rot. Bonds7

About [2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 2357802) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID2357802
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C24H25N3O4/c1-30-20-13-7-8-17(14-20)23-21(15-27(26-23)19-11-3-2-4-12-19)24(29)31-16-22(28)25-18-9-5-6-10-18/h2-4,7-8,11-15,18H,5-6,9-10,16H2,1H3,(H,25,28)
InChIKeyXPVTWSUZXFGXLE-UHFFFAOYSA-N
XLogP3.76
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 41475897
[2-(cyclopropylamino)-2-oxoethyl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7796885
[2-(cyclopropylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2580715
[2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 7684989
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 2377631
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7796813
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 27905541
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 23939459
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 112793080
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 43028216
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 7726962
(2-benzamido-2-oxoethyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 41475844

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (CID 2357802) is [2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)NC2CCCC2)c1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is XPVTWSUZXFGXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-20-13-7-8-17(14-20)23-21(15-27(26-23)19-11-3-2-4-12-19)24(29)31-16-22(28)25-18-9-5-6-10-18/h2-4,7-8,11-15,18H,5-6,9-10,16H2,1H3,(H,25,28).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 419.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 2357802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).