2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide

C10H14ClN3O — CID 79584889

IUPAC2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1c(C(Cl)C(=O)NC2CC2)cnn1C
InChIInChI=1S/C10H14ClN3O/c1-6-8(5-12-14(6)2)9(11)10(15)13-7-3-4-7/h5,7,9H,3-4H2,1-2H3,(H,13,15)
InChIKeyXCLZPGYGWBINTM-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.29
Rot. Bonds3

About 2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide

2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 79584889) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide
PubChem CID79584889
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1c(C(Cl)C(=O)NC2CC2)cnn1C
InChIInChI=1S/C10H14ClN3O/c1-6-8(5-12-14(6)2)9(11)10(15)13-7-3-4-7/h5,7,9H,3-4H2,1-2H3,(H,13,15)
InChIKeyXCLZPGYGWBINTM-UHFFFAOYSA-N
XLogP1.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(1,5-dimethylpyrazol-4-yl)-N-ethylacetamide
CID 79584700
2-chloro-N-cyclopropyl-2-(1-methylpyrazol-4-yl)acetamide
CID 62225884
2-chloro-N-cyclopropyl-2-(3-methylimidazol-4-yl)acetamide
CID 66119152
2-(cyclopropylamino)-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 79584520
2-(cyclohexylamino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584074
2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62224597
methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79584453
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807901
[(2S)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate
CID 30179086
methyl 3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanoate
CID 171865435
2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide
CID 62224965
[1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate
CID 47017814

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide (CID 79584889) is 2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide is Cc1c(C(Cl)C(=O)NC2CC2)cnn1C.
What is the InChIKey of 2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is XCLZPGYGWBINTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6-8(5-12-14(6)2)9(11)10(15)13-7-3-4-7/h5,7,9H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide?
2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 227.69 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 79584889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).