3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide

C10H14F3N3O — CID 113472117

IUPAC3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC(C)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-5(4-10(11,12)13)14-9(17)8-6(2)15-16-7(8)3/h5H,4H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyUWKUDAUBSJGTRJ-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.10
Rot. Bonds3

About 3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 113472117) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID113472117
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC(C)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-5(4-10(11,12)13)14-9(17)8-6(2)15-16-7(8)3/h5H,4H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyUWKUDAUBSJGTRJ-UHFFFAOYSA-N
XLogP2.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-isobutyl-1-isopropyl-5-methyl-3-(trifluoromethyl
CID 49670283
N-isopentyl-1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675662
N-cyclopentyl-1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675665
N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 75534029
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
CID 77092657
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
CID 99949285
3,5-dimethyl-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-pyrazole-4-carboxamide
CID 100751184
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 125524479
N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 126793751
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 132383817
5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide
CID 164638120
5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide
CID 90102521

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide (CID 113472117) is 3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC(C)CC(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is UWKUDAUBSJGTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-5(4-10(11,12)13)14-9(17)8-6(2)15-16-7(8)3/h5H,4H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 249.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113472117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).