5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide

C7H8F3N3O — CID 175397095

IUPAC5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1CC(F)C(F)F
InChIInChI=1S/C7H8F3N3O/c8-4(6(9)10)1-5-3(7(11)14)2-12-13-5/h2,4,6H,1H2,(H2,11,14)(H,12,13)
InChIKeyGGZZMSJOTXQJRR-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.65
Rot. Bonds4

About 5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide

5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide (PubChem CID 175397095) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
PubChem CID175397095
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1CC(F)C(F)F
InChIInChI=1S/C7H8F3N3O/c8-4(6(9)10)1-5-3(7(11)14)2-12-13-5/h2,4,6H,1H2,(H2,11,14)(H,12,13)
InChIKeyGGZZMSJOTXQJRR-UHFFFAOYSA-N
XLogP0.65
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide (CID 175397095) is 5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1CC(F)C(F)F.
What is the InChIKey of 5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is GGZZMSJOTXQJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-4(6(9)10)1-5-3(7(11)14)2-12-13-5/h2,4,6H,1H2,(H2,11,14)(H,12,13).
What are the key properties of 5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 175397095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).