5-chloro-1,3-dimethylpyrazole-4-carboxamide

C6H8ClN3O — CID 1474979

IUPAC5-chloro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(N)=O
InChIInChI=1S/C6H8ClN3O/c1-3-4(6(8)11)5(7)10(2)9-3/h1-2H3,(H2,8,11)
InChIKeyNFSKLGKDBGHLJH-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.48
Rot. Bonds1

About 5-chloro-1,3-dimethylpyrazole-4-carboxamide

5-chloro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 1474979) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 5-chloro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID1474979
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name5-chloro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(N)=O
InChIInChI=1S/C6H8ClN3O/c1-3-4(6(8)11)5(7)10(2)9-3/h1-2H3,(H2,8,11)
InChIKeyNFSKLGKDBGHLJH-UHFFFAOYSA-N
XLogP0.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde
CID 2777397
5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbonyl chloride
CID 11745492
5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 1478459
5-chloro-N-cyclohexyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17559327
5-chloro-N,N,1-trimethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 4329180
5-chloro-N-cyclopentyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 24687575
N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 4329181
1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde
CID 3747293
5-chloro-3-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde
CID 5015913
5-chloro-3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbaldehyde
CID 126995133
2-{[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}acetic acid
CID 3777032
5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 11298106

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1,3-dimethylpyrazole-4-carboxamide (CID 1474979) is 5-chloro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(N)=O.
What is the InChIKey of 5-chloro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is NFSKLGKDBGHLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-3-4(6(8)11)5(7)10(2)9-3/h1-2H3,(H2,8,11).
What are the key properties of 5-chloro-1,3-dimethylpyrazole-4-carboxamide?
5-chloro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 173.60 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 1474979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).