(E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide

C16H17N3O — CID 30859089

IUPAC(E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide
SMILESCn1nc2c(c1NC(=O)/C=C/c1ccccc1)CCC2
InChIInChI=1S/C16H17N3O/c1-19-16(13-8-5-9-14(13)18-19)17-15(20)11-10-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,17,20)/b11-10+
InChIKeyWUYWAHXUEJGOHA-ZHACJKMWSA-N
MW267.33 g/mol
LogP2.56
Rot. Bonds3

About (E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide

(E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide (PubChem CID 30859089) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide
PubChem CID30859089
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide
SMILESCn1nc2c(c1NC(=O)/C=C/c1ccccc1)CCC2
InChIInChI=1S/C16H17N3O/c1-19-16(13-8-5-9-14(13)18-19)17-15(20)11-10-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,17,20)/b11-10+
InChIKeyWUYWAHXUEJGOHA-ZHACJKMWSA-N
XLogP2.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide (CID 30859089) is (E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide is Cn1nc2c(c1NC(=O)/C=C/c1ccccc1)CCC2.
What is the InChIKey of (E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide?
The InChIKey is WUYWAHXUEJGOHA-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19-16(13-8-5-9-14(13)18-19)17-15(20)11-10-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,17,20)/b11-10+.
What are the key properties of (E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide?
(E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide has a molecular weight of 267.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 30859089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).