N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide

C13H21N3O — CID 82700538

IUPACN-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
SMILESCCc1cc(CC)n(CC(=O)N(C)C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-4-10-8-11(5-2)16(14-10)9-13(17)15(3)12-6-7-12/h8,12H,4-7,9H2,1-3H3
InChIKeyJMXLDNMQSVAQAE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.63
Rot. Bonds5

About N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide

N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide (PubChem CID 82700538) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
PubChem CID82700538
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
SMILESCCc1cc(CC)n(CC(=O)N(C)C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-4-10-8-11(5-2)16(14-10)9-13(17)15(3)12-6-7-12/h8,12H,4-7,9H2,1-3H3
InChIKeyJMXLDNMQSVAQAE-UHFFFAOYSA-N
XLogP1.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide 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 N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide (CID 82700538) is N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide is CCc1cc(CC)n(CC(=O)N(C)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide?
The InChIKey is JMXLDNMQSVAQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-10-8-11(5-2)16(14-10)9-13(17)15(3)12-6-7-12/h8,12H,4-7,9H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide?
N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 82700538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).