N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide

C6H7F2N3O — CID 68744944

IUPACN-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C(F)F
InChIInChI=1S/C6H7F2N3O/c1-11(6(7)8)5(12)4-2-9-10-3-4/h2-3,6H,1H3,(H,9,10)
InChIKeyRSQNSYZJQPTCOD-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.70
Rot. Bonds2

About N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide

N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 68744944) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID68744944
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC NameN-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C(F)F
InChIInChI=1S/C6H7F2N3O/c1-11(6(7)8)5(12)4-2-9-10-3-4/h2-3,6H,1H3,(H,9,10)
InChIKeyRSQNSYZJQPTCOD-UHFFFAOYSA-N
XLogP0.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide (CID 68744944) is N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is RSQNSYZJQPTCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c1-11(6(7)8)5(12)4-2-9-10-3-4/h2-3,6H,1H3,(H,9,10).
What are the key properties of N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 175.14 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 68744944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).