N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide

C6H6F3N3O — CID 174960598

IUPACN-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide
SMILESO=CNc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-12-2-1-5(11-12)10-4-13/h1-2,4H,3H2,(H,10,11,13)
InChIKeyJTNRXCOGTJOERA-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.01
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide

N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide (PubChem CID 174960598) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide
PubChem CID174960598
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide
SMILESO=CNc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-12-2-1-5(11-12)10-4-13/h1-2,4H,3H2,(H,10,11,13)
InChIKeyJTNRXCOGTJOERA-UHFFFAOYSA-N
XLogP1.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide (CID 174960598) is N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide is O=CNc1ccn(CC(F)(F)F)n1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide?
The InChIKey is JTNRXCOGTJOERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)3-12-2-1-5(11-12)10-4-13/h1-2,4H,3H2,(H,10,11,13).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide?
N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide has a molecular weight of 193.13 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]formamide is sourced from PubChem (CID 174960598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).