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

C7H10ClN3O2 — CID 47143740

IUPAC5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide
SMILESCONC(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C7H10ClN3O2/c1-4-5(7(12)10-13-3)6(8)11(2)9-4/h1-3H3,(H,10,12)
InChIKeyFQQDMCHWUQOVAG-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.67
Rot. Bonds2

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

5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 47143740) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide
PubChem CID47143740
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide
SMILESCONC(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C7H10ClN3O2/c1-4-5(7(12)10-13-3)6(8)11(2)9-4/h1-3H3,(H,10,12)
InChIKeyFQQDMCHWUQOVAG-UHFFFAOYSA-N
XLogP0.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 40567651
5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 51312965
5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279655
5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 24610858
5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279909
5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide
CID 86868986
5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 47141788
5-chloro-N-[(1R)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 40567652
5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 24610680
5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 33254001
N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 47137762

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide (CID 47143740) is 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide is CONC(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is FQQDMCHWUQOVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-4-5(7(12)10-13-3)6(8)11(2)9-4/h1-3H3,(H,10,12).
What are the key properties of 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 203.63 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 47143740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).