2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide

C11H16ClN3O — CID 166408835

IUPAC2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCC(C)n1ncc(NC(=O)CCl)c1C1CC1
InChIInChI=1S/C11H16ClN3O/c1-7(2)15-11(8-3-4-8)9(6-13-15)14-10(16)5-12/h6-8H,3-5H2,1-2H3,(H,14,16)
InChIKeyHJGZNOQDNUWWMA-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.52
Rot. Bonds4

About 2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide

2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide (PubChem CID 166408835) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide
PubChem CID166408835
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCC(C)n1ncc(NC(=O)CCl)c1C1CC1
InChIInChI=1S/C11H16ClN3O/c1-7(2)15-11(8-3-4-8)9(6-13-15)14-10(16)5-12/h6-8H,3-5H2,1-2H3,(H,14,16)
InChIKeyHJGZNOQDNUWWMA-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol
CID 66436592
1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone
CID 105459519
2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide
CID 166404074
4-[[(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)carbamoylamino]methyl]benzoic acid
CID 122088267
N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-2-(3-hydroxyphenyl)-2-methylpropanamide
CID 136556733
2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide
CID 166410231
5-cyclopropyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 166403649
4-cyclopropyl-1,5-di(propan-2-yl)pyrazole
CID 168800092
(6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid
CID 129375486
4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524544
2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide
CID 166432100
5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole
CID 114665383

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide (CID 166408835) is 2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide is CC(C)n1ncc(NC(=O)CCl)c1C1CC1.
What is the InChIKey of 2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide?
The InChIKey is HJGZNOQDNUWWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7(2)15-11(8-3-4-8)9(6-13-15)14-10(16)5-12/h6-8H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide?
2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide has a molecular weight of 241.72 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 166408835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).