N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C6H7F2N3O — CID 175972125

IUPACN-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILES[2H]NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C6H7F2N3O/c1-11-2-3(6(9)12)4(10-11)5(7)8/h2,5H,1H3,(H2,9,12)/i/hD
InChIKeyXNXCINUKGNQCEZ-DYCDLGHISA-N
MW176.14 g/mol
LogP0.46
Rot. Bonds2

About N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 175972125) has the molecular formula C6H7F2N3O and a molecular weight of 176.14 g/mol. Its IUPAC name is N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID175972125
Molecular FormulaC6H7F2N3O
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC NameN-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILES[2H]NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C6H7F2N3O/c1-11-2-3(6(9)12)4(10-11)5(7)8/h2,5H,1H3,(H2,9,12)/i/hD
InChIKeyXNXCINUKGNQCEZ-DYCDLGHISA-N
XLogP0.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-deuterio-3-(difluoromethyl)-1-methylpyrazole-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 N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 175972125) is N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is [2H]NC(=O)c1cn(C)nc1C(F)F.
What is the InChIKey of N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is XNXCINUKGNQCEZ-DYCDLGHISA-N. The full InChI is InChI=1S/C6H7F2N3O/c1-11-2-3(6(9)12)4(10-11)5(7)8/h2,5H,1H3,(H2,9,12)/i/hD.
What are the key properties of N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 176.14 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuterio-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 175972125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).