1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide

C7H8F3N3O — CID 160918685

IUPAC1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
SMILESCC(n1cc(C(N)=O)cn1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4(7(8,9)10)13-3-5(2-12-13)6(11)14/h2-4H,1H3,(H2,11,14)
InChIKeySRSYFANOKMRZEY-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.11
Rot. Bonds2

About 1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide

1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide (PubChem CID 160918685) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
PubChem CID160918685
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
SMILESCC(n1cc(C(N)=O)cn1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4(7(8,9)10)13-3-5(2-12-13)6(11)14/h2-4H,1H3,(H2,11,14)
InChIKeySRSYFANOKMRZEY-UHFFFAOYSA-N
XLogP1.11
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-(1-(propan-2-yl)-1H-pyrazol-4-yl)ethan-1-one
CID 63754238
2,2,2-Trifluoro-1-(1-pentan-3-ylpyrazol-4-yl)ethanone
CID 80099174
1-Ethyl-1H-pyrazole-4-carboxaldehyde
CID 2758900
1-[1-(butan-2-yl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one
CID 63754964
2,2,2-Trifluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone
CID 107886865
2,2-Difluoro-1-[1-(propan-2-yl)-1h-pyrazol-4-yl]ethan-1-one
CID 122192580
1-(1-Butan-2-ylpyrazol-4-yl)-2,2-difluoroethanone
CID 122192581
2,2-Difluoro-1-(1-pentan-2-ylpyrazol-4-yl)ethanone
CID 122192582
2,2-Difluoro-1-(1-pentan-3-ylpyrazol-4-yl)ethanone
CID 122192583
1-Propyl-1H-pyrazole-4-carbaldehyde
CID 4711792
1-Methyl-1H-pyrazole-4-carboxamide
CID 14579135
1-(1-Butan-2-ylpyrazol-4-yl)-2-fluoroethanone
CID 122192587

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide (CID 160918685) is 1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide is CC(n1cc(C(N)=O)cn1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide?
The InChIKey is SRSYFANOKMRZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4(7(8,9)10)13-3-5(2-12-13)6(11)14/h2-4H,1H3,(H2,11,14).
What are the key properties of 1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide?
1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 160918685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).