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

C17H17Cl2N3O — CID 55337625

IUPAC(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)Nc1ccnn1C1CCCC1
InChIInChI=1S/C17H17Cl2N3O/c18-14-7-3-4-12(17(14)19)8-9-16(23)21-15-10-11-20-22(15)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2,(H,21,23)/b9-8+
InChIKeyLHBQYWKLYHBOOC-CMDGGOBGSA-N
MW350.25 g/mol
LogP4.96
Rot. Bonds4

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

(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide (PubChem CID 55337625) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide
PubChem CID55337625
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)Nc1ccnn1C1CCCC1
InChIInChI=1S/C17H17Cl2N3O/c18-14-7-3-4-12(17(14)19)8-9-16(23)21-15-10-11-20-22(15)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2,(H,21,23)/b9-8+
InChIKeyLHBQYWKLYHBOOC-CMDGGOBGSA-N
XLogP4.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,3-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide (CID 55337625) is (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1Cl)Nc1ccnn1C1CCCC1.
What is the InChIKey of (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide?
The InChIKey is LHBQYWKLYHBOOC-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-14-7-3-4-12(17(14)19)8-9-16(23)21-15-10-11-20-22(15)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2,(H,21,23)/b9-8+.
What are the key properties of (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide?
(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide has a molecular weight of 350.25 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 55337625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).