1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C8H10F3N3O — CID 173128039

IUPAC1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCCn1nc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C8H10F3N3O/c1-2-3-14-5(7(12)15)4-6(13-14)8(9,10)11/h4H,2-3H2,1H3,(H2,12,15)
InChIKeyGLVWGBFKYPZKLL-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.41
Rot. Bonds3

About 1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide

1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 173128039) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID173128039
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCCn1nc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C8H10F3N3O/c1-2-3-14-5(7(12)15)4-6(13-14)8(9,10)11/h4H,2-3H2,1H3,(H2,12,15)
InChIKeyGLVWGBFKYPZKLL-UHFFFAOYSA-N
XLogP1.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1236015
1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3453921
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 162664964
N,1,5-trimethyl-1H-pyrazole-3-carboxamide
CID 19279808
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 720035
Pyrazole-3,5-dicarboxamide, N,N,N',N',1-pentamethyl-
CID 3035271
1-ethyl-3-methyl-1H-pyrazole-5-carbonyl isothiocyanate
CID 66120676
1-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)ethan-1-one
CID 19619407
(1,5-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 5140192
1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743273
1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
CID 57440995

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 173128039) is 1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCCn1nc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is GLVWGBFKYPZKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-3-14-5(7(12)15)4-6(13-14)8(9,10)11/h4H,2-3H2,1H3,(H2,12,15).
What are the key properties of 1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 221.18 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 173128039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).