5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide

C7H10ClN3O — CID 130628105

IUPAC5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)c(Cl)c1C(N)=O
InChIInChI=1S/C7H10ClN3O/c1-3-4-5(7(9)12)6(8)11(2)10-4/h3H2,1-2H3,(H2,9,12)
InChIKeyPRNJDSRSKJPZLN-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.73
Rot. Bonds2

About 5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide

5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 130628105) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID130628105
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)c(Cl)c1C(N)=O
InChIInChI=1S/C7H10ClN3O/c1-3-4-5(7(9)12)6(8)11(2)10-4/h3H2,1-2H3,(H2,9,12)
InChIKeyPRNJDSRSKJPZLN-UHFFFAOYSA-N
XLogP0.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide
CID 83881355
1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one
CID 83880828
5-chloro-3,4-diethyl-1-methylpyrazole
CID 142045538
2-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 83887374
1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone
CID 89112116
1-(4-carbamoylphenyl)-5-chloro-3-ethylpyrazole-4-carboxylic acid
CID 82362441
3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid
CID 83619629
5-amino-3-chloro-1-methylpyrazole-4-carboxamide
CID 53477427
5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 13174843
5-chloro-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 138000669
5-chloro-3-ethyl-4-isocyanato-1-methylpyrazole
CID 83915244
3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide
CID 154513228

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide (CID 130628105) is 5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)c(Cl)c1C(N)=O.
What is the InChIKey of 5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is PRNJDSRSKJPZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-3-4-5(7(9)12)6(8)11(2)10-4/h3H2,1-2H3,(H2,9,12).
What are the key properties of 5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide?
5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 187.63 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 130628105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).