3,4-dimethylpyrazole-1-carboxamide

C6H9N3O — CID 12933277

IUPAC3,4-dimethylpyrazole-1-carboxamide
SMILESCc1cn(C(N)=O)nc1C
InChIInChI=1S/C6H9N3O/c1-4-3-9(6(7)10)8-5(4)2/h3H,1-2H3,(H2,7,10)
InChIKeyAQJZZHSZJSXJTP-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.43
Rot. Bonds

About 3,4-dimethylpyrazole-1-carboxamide

3,4-dimethylpyrazole-1-carboxamide (PubChem CID 12933277) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3,4-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3,4-dimethylpyrazole-1-carboxamide
PubChem CID12933277
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3,4-dimethylpyrazole-1-carboxamide
SMILESCc1cn(C(N)=O)nc1C
InChIInChI=1S/C6H9N3O/c1-4-3-9(6(7)10)8-5(4)2/h3H,1-2H3,(H2,7,10)
InChIKeyAQJZZHSZJSXJTP-UHFFFAOYSA-N
XLogP0.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpyrazole-1-carboxamide?
The IUPAC name of 3,4-dimethylpyrazole-1-carboxamide (CID 12933277) is 3,4-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for 3,4-dimethylpyrazole-1-carboxamide?
The canonical SMILES for 3,4-dimethylpyrazole-1-carboxamide is Cc1cn(C(N)=O)nc1C.
What is the InChIKey of 3,4-dimethylpyrazole-1-carboxamide?
The InChIKey is AQJZZHSZJSXJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-3-9(6(7)10)8-5(4)2/h3H,1-2H3,(H2,7,10).
What are the key properties of 3,4-dimethylpyrazole-1-carboxamide?
3,4-dimethylpyrazole-1-carboxamide has a molecular weight of 139.16 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 12933277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).