1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide

C7H7F3N4O — CID 118203751

IUPAC1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESC=NNC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C7H7F3N4O/c1-11-12-6(15)4-3-14(2)13-5(4)7(8,9)10/h3H,1H2,2H3,(H,12,15)
InChIKeyNBFRLWBNWKVNOP-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.78
Rot. Bonds2

About 1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 118203751) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is 1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID118203751
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC Name1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESC=NNC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C7H7F3N4O/c1-11-12-6(15)4-3-14(2)13-5(4)7(8,9)10/h3H,1H2,2H3,(H,12,15)
InChIKeyNBFRLWBNWKVNOP-UHFFFAOYSA-N
XLogP0.78
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 22374064
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 46928351
1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
1,3-dimethyl-1H-pyrazole-4-carbohydrazide
CID 4188482
3-(Difluoromethyl)-1-methyl-1 H-pyrazole-4-carbonyl chloride
CID 15340110
1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one
CID 6401375
1-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethan-1-one
CID 10877965
1-(2,2-difluoroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde
CID 19622851
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CID 53302064
5-(Difluoromethyl)-1-methyl-1h-pyrazole-4-carbaldehyde
CID 53405923
1,3-dimethyl-1H-pyrazole-4-carbohydrazide hydrochloride
CID 145867203
1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 118203751) is 1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide is C=NNC(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of 1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NBFRLWBNWKVNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O/c1-11-12-6(15)4-3-14(2)13-5(4)7(8,9)10/h3H,1H2,2H3,(H,12,15).
What are the key properties of 1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 118203751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).