5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide

C7H8F3N3O — CID 174238445

IUPAC5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(c1cc(C(N)=O)n[nH]1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-3(7(8,9)10)4-2-5(6(11)14)13-12-4/h2-3H,1H3,(H2,11,14)(H,12,13)
InChIKeyUNSFFICAKHVINV-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.17
Rot. Bonds2

About 5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide

5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 174238445) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID174238445
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(c1cc(C(N)=O)n[nH]1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-3(7(8,9)10)4-2-5(6(11)14)13-12-4/h2-3H,1H3,(H2,11,14)(H,12,13)
InChIKeyUNSFFICAKHVINV-UHFFFAOYSA-N
XLogP1.17
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide (CID 174238445) is 5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide is CC(c1cc(C(N)=O)n[nH]1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is UNSFFICAKHVINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-3(7(8,9)10)4-2-5(6(11)14)13-12-4/h2-3H,1H3,(H2,11,14)(H,12,13).
What are the key properties of 5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide?
5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 174238445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).