1,3-dimethylpyrazole-4-carboxamide

C6H9N3O — CID 665356

IUPAC1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(N)=O
InChIInChI=1S/C6H9N3O/c1-4-5(6(7)10)3-9(2)8-4/h3H,1-2H3,(H2,7,10)
InChIKeyWIRJLEWTAGZYMM-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.17
Rot. Bonds1

About 1,3-dimethylpyrazole-4-carboxamide

1,3-dimethylpyrazole-4-carboxamide (PubChem CID 665356) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethylpyrazole-4-carboxamide
PubChem CID665356
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(N)=O
InChIInChI=1S/C6H9N3O/c1-4-5(6(7)10)3-9(2)8-4/h3H,1-2H3,(H2,7,10)
InChIKeyWIRJLEWTAGZYMM-UHFFFAOYSA-N
XLogP-0.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethylpyrazole-4-carboxamide (CID 665356) is 1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(N)=O.
What is the InChIKey of 1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is WIRJLEWTAGZYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-5(6(7)10)3-9(2)8-4/h3H,1-2H3,(H2,7,10).
What are the key properties of 1,3-dimethylpyrazole-4-carboxamide?
1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 139.16 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 665356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).