4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide

C11H15ClN4O2 — CID 154848802

IUPAC4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)CCl)c(C(=O)NC2CCC2)n1
InChIInChI=1S/C11H15ClN4O2/c1-16-6-8(14-9(17)5-12)10(15-16)11(18)13-7-3-2-4-7/h6-7H,2-5H2,1H3,(H,13,18)(H,14,17)
InChIKeyPALFQNMVOFMWMW-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.88
Rot. Bonds4

About 4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide

4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide (PubChem CID 154848802) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide
PubChem CID154848802
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)CCl)c(C(=O)NC2CCC2)n1
InChIInChI=1S/C11H15ClN4O2/c1-16-6-8(14-9(17)5-12)10(15-16)11(18)13-7-3-2-4-7/h6-7H,2-5H2,1H3,(H,13,18)(H,14,17)
InChIKeyPALFQNMVOFMWMW-UHFFFAOYSA-N
XLogP0.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410660
2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide
CID 166410231
4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide
CID 891856
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate
CID 143923996
4-amino-N-(4-hydroxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65354699
N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide
CID 19585684
N-cycloheptyl-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805314
1-methyl-3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazole-4-carboxylate
CID 28847813
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide
CID 65354922
2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485722
4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408899

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide (CID 154848802) is 4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide is Cn1cc(NC(=O)CCl)c(C(=O)NC2CCC2)n1.
What is the InChIKey of 4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide?
The InChIKey is PALFQNMVOFMWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-16-6-8(14-9(17)5-12)10(15-16)11(18)13-7-3-2-4-7/h6-7H,2-5H2,1H3,(H,13,18)(H,14,17).
What are the key properties of 4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide?
4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 154848802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).