5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide

C7H8F3N3O — CID 158474876

IUPAC5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1CCC(F)(F)F
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)2-1-5-4(6(11)14)3-12-13-5/h3H,1-2H2,(H2,11,14)(H,12,13)
InChIKeyHGURSBPHTJRUOI-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.00
Rot. Bonds3

About 5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide

5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide (PubChem CID 158474876) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
PubChem CID158474876
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1CCC(F)(F)F
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)2-1-5-4(6(11)14)3-12-13-5/h3H,1-2H2,(H2,11,14)(H,12,13)
InChIKeyHGURSBPHTJRUOI-UHFFFAOYSA-N
XLogP1.00
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide (CID 158474876) is 5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1CCC(F)(F)F.
What is the InChIKey of 5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is HGURSBPHTJRUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)2-1-5-4(6(11)14)3-12-13-5/h3H,1-2H2,(H2,11,14)(H,12,13).
What are the key properties of 5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 207.15 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 158474876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).