4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide

C8H11ClN4O2 — CID 19410660

IUPAC4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)CCl
InChIInChI=1S/C8H11ClN4O2/c1-10-8(15)7-5(4-13(2)12-7)11-6(14)3-9/h4H,3H2,1-2H3,(H,10,15)(H,11,14)
InChIKeyBAPNKCAEYDOTNP-UHFFFAOYSA-N
MW230.66 g/mol
LogP-0.04
Rot. Bonds3

About 4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide

4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19410660) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is 4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19410660
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)CCl
InChIInChI=1S/C8H11ClN4O2/c1-10-8(15)7-5(4-13(2)12-7)11-6(14)3-9/h4H,3H2,1-2H3,(H,10,15)(H,11,14)
InChIKeyBAPNKCAEYDOTNP-UHFFFAOYSA-N
XLogP-0.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 5-0.04
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-cyclobutyl-1-methylpyrazole-3-carboxamide
CID 154848802
4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408899
N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19559794
4-[(4-ethylbenzoyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410625
4-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19270975
1-ethyl-3,5-dimethyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 19472242
N,1-dimethyl-4-[3-[4-(prop-2-enoylamino)phenyl]propanoylamino]pyrazole-3-carboxamide
CID 166421920
4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 17024416
2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide
CID 166410231
N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19264717
4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19520476
4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408905

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide (CID 19410660) is 4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)CCl.
What is the InChIKey of 4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is BAPNKCAEYDOTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-10-8(15)7-5(4-13(2)12-7)11-6(14)3-9/h4H,3H2,1-2H3,(H,10,15)(H,11,14).
What are the key properties of 4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide?
4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 230.66 g/mol, XLogP of -0.04, 3 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,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19410660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).