(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide

C19H23N3O3 — CID 134013021

IUPAC(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccnn2C2CCCC2)cc(OC)c1
InChIInChI=1S/C19H23N3O3/c1-24-16-11-14(12-17(13-16)25-2)7-8-19(23)21-18-9-10-20-22(18)15-5-3-4-6-15/h7-13,15H,3-6H2,1-2H3,(H,21,23)/b8-7+
InChIKeyBXHQCZJHIKPKFC-BQYQJAHWSA-N
MW341.41 g/mol
LogP3.67
Rot. Bonds6

About (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide

(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 134013021) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
PubChem CID134013021
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccnn2C2CCCC2)cc(OC)c1
InChIInChI=1S/C19H23N3O3/c1-24-16-11-14(12-17(13-16)25-2)7-8-19(23)21-18-9-10-20-22(18)15-5-3-4-6-15/h7-13,15H,3-6H2,1-2H3,(H,21,23)/b8-7+
InChIKeyBXHQCZJHIKPKFC-BQYQJAHWSA-N
XLogP3.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide (CID 134013021) is (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccnn2C2CCCC2)cc(OC)c1.
What is the InChIKey of (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is BXHQCZJHIKPKFC-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-16-11-14(12-17(13-16)25-2)7-8-19(23)21-18-9-10-20-22(18)15-5-3-4-6-15/h7-13,15H,3-6H2,1-2H3,(H,21,23)/b8-7+.
What are the key properties of (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 341.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 134013021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).