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

C6H6F3N3O — CID 118051982

IUPACN-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c1-12(6(7,8)9)5(13)4-2-10-11-3-4/h2-3H,1H3,(H,10,11)
InChIKeyDRIGXLUULAJNFZ-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.00
Rot. Bonds1

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

N-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 118051982) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is N-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID118051982
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC NameN-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c1-12(6(7,8)9)5(13)4-2-10-11-3-4/h2-3H,1H3,(H,10,11)
InChIKeyDRIGXLUULAJNFZ-UHFFFAOYSA-N
XLogP1.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.00
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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Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
1H-pyrazole-4-carbohydrazide
CID 13031723
1H-Pyrazole-4-carboxamide
CID 17854756
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
5-Fluoropyrazole-4-carboxamide
CID 67420506
Pyrazole-4-carbonyl azide
CID 63079793
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
N-Methyl-1H-pyrazole-4-carboxamide
CID 43582329
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804
1-(1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)piperidine
CID 65532420
N-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 66660851

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 118051982) is N-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1)C(F)(F)F.
What is the InChIKey of N-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is DRIGXLUULAJNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-12(6(7,8)9)5(13)4-2-10-11-3-4/h2-3H,1H3,(H,10,11).
What are the key properties of N-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 193.13 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 118051982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).