1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C10H14F3N3O — CID 141444545

IUPAC1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCC(C)Cn1ccc(C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-7(2)5-16-4-3-8(15-16)9(17)14-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyXUCCUTCPWSJMIB-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.83
Rot. Bonds4

About 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 141444545) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID141444545
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCC(C)Cn1ccc(C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-7(2)5-16-4-3-8(15-16)9(17)14-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyXUCCUTCPWSJMIB-UHFFFAOYSA-N
XLogP1.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 55276477
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
6-methyl-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 126694545
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
N-tert-butyl-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 2809211

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 141444545) is 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is CC(C)Cn1ccc(C(=O)NCC(F)(F)F)n1.
What is the InChIKey of 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is XUCCUTCPWSJMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(2)5-16-4-3-8(15-16)9(17)14-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 249.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 141444545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).