3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one

C17H22N2O3 — CID 71457038

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one
SMILESCOc1ccc(C2=NNC(=O)C2(C)C)cc1OC1CCCC1
InChIInChI=1S/C17H22N2O3/c1-17(2)15(18-19-16(17)20)11-8-9-13(21-3)14(10-11)22-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,19,20)
InChIKeyOEXHNVPDHFPXCA-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.88
Rot. Bonds4

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one

3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one (PubChem CID 71457038) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one
PubChem CID71457038
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one
SMILESCOc1ccc(C2=NNC(=O)C2(C)C)cc1OC1CCCC1
InChIInChI=1S/C17H22N2O3/c1-17(2)15(18-19-16(17)20)11-8-9-13(21-3)14(10-11)22-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,19,20)
InChIKeyOEXHNVPDHFPXCA-UHFFFAOYSA-N
XLogP2.88
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one (CID 71457038) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one is COc1ccc(C2=NNC(=O)C2(C)C)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one?
The InChIKey is OEXHNVPDHFPXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2)15(18-19-16(17)20)11-8-9-13(21-3)14(10-11)22-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one?
3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one has a molecular weight of 302.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one is sourced from PubChem (CID 71457038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).