1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide

C7H9F2N3O — CID 4773813

IUPAC1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C(F)F)c(C)c1C(N)=O
InChIInChI=1S/C7H9F2N3O/c1-3-5(6(10)13)4(2)12(11-3)7(8)9/h7H,1-2H3,(H2,10,13)
InChIKeyVBZLTSYAKIIJBP-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.99
Rot. Bonds2

About 1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide

1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 4773813) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID4773813
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C(F)F)c(C)c1C(N)=O
InChIInChI=1S/C7H9F2N3O/c1-3-5(6(10)13)4(2)12(11-3)7(8)9/h7H,1-2H3,(H2,10,13)
InChIKeyVBZLTSYAKIIJBP-UHFFFAOYSA-N
XLogP0.99
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide (CID 4773813) is 1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(C(F)F)c(C)c1C(N)=O.
What is the InChIKey of 1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is VBZLTSYAKIIJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-3-5(6(10)13)4(2)12(11-3)7(8)9/h7H,1-2H3,(H2,10,13).
What are the key properties of 1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide?
1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 189.17 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 4773813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).