N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide

C9H14ClN3O — CID 19263653

IUPACN-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1nn(C)cc1Cl
InChIInChI=1S/C9H14ClN3O/c1-4-6(2)11-9(14)8-7(10)5-13(3)12-8/h5-6H,4H2,1-3H3,(H,11,14)
InChIKeyIJXILUUSCKBRDS-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.60
Rot. Bonds3

About N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide

N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide (PubChem CID 19263653) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide
PubChem CID19263653
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC NameN-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1nn(C)cc1Cl
InChIInChI=1S/C9H14ClN3O/c1-4-6(2)11-9(14)8-7(10)5-13(3)12-8/h5-6H,4H2,1-3H3,(H,11,14)
InChIKeyIJXILUUSCKBRDS-UHFFFAOYSA-N
XLogP1.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
CID 102810885
4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide
CID 65354482
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19263063
N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide
CID 75767585
4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide
CID 891856
ethyl (E)-3-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]but-2-enoate
CID 19263755
N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide
CID 150062756
methyl 4-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19263773
1-butyl-1-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]thiourea
CID 22301184

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide (CID 19263653) is N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide is CCC(C)NC(=O)c1nn(C)cc1Cl.
What is the InChIKey of N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide?
The InChIKey is IJXILUUSCKBRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-4-6(2)11-9(14)8-7(10)5-13(3)12-8/h5-6H,4H2,1-3H3,(H,11,14).
What are the key properties of N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide?
N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide has a molecular weight of 215.68 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19263653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).