N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide

C8H12ClN3O — CID 114299684

IUPACN-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCC(CCl)NC(=O)c1cnn(C)c1
InChIInChI=1S/C8H12ClN3O/c1-6(3-9)11-8(13)7-4-10-12(2)5-7/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyRSLZSZGSEYVKFW-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.78
Rot. Bonds3

About N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide

N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 114299684) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID114299684
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC NameN-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCC(CCl)NC(=O)c1cnn(C)c1
InChIInChI=1S/C8H12ClN3O/c1-6(3-9)11-8(13)7-4-10-12(2)5-7/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyRSLZSZGSEYVKFW-UHFFFAOYSA-N
XLogP0.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.78
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

1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide
CID 86915318
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366
(2S)-3-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 28742450
N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide
CID 61120053
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
CID 61247345
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 103512630
N-(1-chloropropan-2-yl)pyrimidine-5-carboxamide
CID 102922755
N-(1-chloropropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122581
N-(1-chloropropan-2-yl)pyridazine-4-carboxamide
CID 104672603
5-bromo-N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 131020849
2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 43630219

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide (CID 114299684) is N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide is CC(CCl)NC(=O)c1cnn(C)c1.
What is the InChIKey of N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is RSLZSZGSEYVKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-6(3-9)11-8(13)7-4-10-12(2)5-7/h4-6H,3H2,1-2H3,(H,11,13).
What are the key properties of N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide?
N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 201.66 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 114299684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).