4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one

C16H21N3O2 — CID 107958698

IUPAC4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one
SMILESCCOc1ccc(-n2[nH]c(C3CCCC3)c(N)c2=O)cc1
InChIInChI=1S/C16H21N3O2/c1-2-21-13-9-7-12(8-10-13)19-16(20)14(17)15(18-19)11-5-3-4-6-11/h7-11,18H,2-6,17H2,1H3
InChIKeyRFISBHJWHUQOOO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.80
Rot. Bonds4

About 4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one

4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one (PubChem CID 107958698) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one
PubChem CID107958698
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one
SMILESCCOc1ccc(-n2[nH]c(C3CCCC3)c(N)c2=O)cc1
InChIInChI=1S/C16H21N3O2/c1-2-21-13-9-7-12(8-10-13)19-16(20)14(17)15(18-19)11-5-3-4-6-11/h7-11,18H,2-6,17H2,1H3
InChIKeyRFISBHJWHUQOOO-UHFFFAOYSA-N
XLogP2.80
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3aS,7aR)-2-(4-ethoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7032574
2-(4-ethoxyphenyl)cyclohexan-1-one
CID 62801107
1-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 2848649
2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one
CID 107958349
(1R,2S,6R,7S)-4-(4-ethoxyphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 11880247
1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione
CID 117026421
1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one
CID 117014032
(3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione
CID 7448639
4-(4-ethoxyphenyl)piperazine-2,6-dione
CID 63789608
(3R)-1-(4-ethoxyphenyl)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione
CID 755852
1-cyclohexyl-4-(4-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CID 4027101
2,6-bis(4-ethoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731134

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one (CID 107958698) is 4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one is CCOc1ccc(-n2[nH]c(C3CCCC3)c(N)c2=O)cc1.
What is the InChIKey of 4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one?
The InChIKey is RFISBHJWHUQOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-21-13-9-7-12(8-10-13)19-16(20)14(17)15(18-19)11-5-3-4-6-11/h7-11,18H,2-6,17H2,1H3.
What are the key properties of 4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one?
4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one has a molecular weight of 287.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 107958698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).