5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide

C7H9F2N3O — CID 144770900

IUPAC5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C(F)F
InChIInChI=1S/C7H9F2N3O/c1-12(2)7(13)4-3-10-11-5(4)6(8)9/h3,6H,1-2H3,(H,10,11)
InChIKeyPUDLWOVXNOBTEB-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.05
Rot. Bonds2

About 5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 144770900) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID144770900
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C(F)F
InChIInChI=1S/C7H9F2N3O/c1-12(2)7(13)4-3-10-11-5(4)6(8)9/h3,6H,1-2H3,(H,10,11)
InChIKeyPUDLWOVXNOBTEB-UHFFFAOYSA-N
XLogP1.05
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 144770900) is 5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is PUDLWOVXNOBTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-12(2)7(13)4-3-10-11-5(4)6(8)9/h3,6H,1-2H3,(H,10,11).
What are the key properties of 5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 189.17 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 144770900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).