cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide

C16H23N3O — CID 95265346

IUPACcis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCN(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)C1CCCC1
InChIInChI=1S/C16H23N3O/c1-3-8-19(13-6-4-5-7-13)16(20)15-9-14(15)12-10-17-18(2)11-12/h3,10-11,13-15H,1,4-9H2,2H3/t14-,15-/m0/s1
InChIKeyBHZZPNLMYTYRNK-GJZGRUSLSA-N
MW273.38 g/mol
LogP2.48
Rot. Bonds5

About cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide

cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide (PubChem CID 95265346) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide
PubChem CID95265346
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Namecis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCN(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)C1CCCC1
InChIInChI=1S/C16H23N3O/c1-3-8-19(13-6-4-5-7-13)16(20)15-9-14(15)12-10-17-18(2)11-12/h3,10-11,13-15H,1,4-9H2,2H3/t14-,15-/m0/s1
InChIKeyBHZZPNLMYTYRNK-GJZGRUSLSA-N
XLogP2.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide 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 cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide (CID 95265346) is cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide is C=CCN(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)C1CCCC1.
What is the InChIKey of cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide?
The InChIKey is BHZZPNLMYTYRNK-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-8-19(13-6-4-5-7-13)16(20)15-9-14(15)12-10-17-18(2)11-12/h3,10-11,13-15H,1,4-9H2,2H3/t14-,15-/m0/s1.
What are the key properties of cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-cyclopentyl-2-(1-methylpyrazol-4-yl)-N-prop-2-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 95265346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).