1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine

C6H8F3N3O — CID 7017659

IUPAC1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine
SMILESNc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)3-13-4-12-2-5(10)1-11-12/h1-2H,3-4,10H2
InChIKeySNIXCDHCKPVOSY-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.00
Rot. Bonds3

About 1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine

1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine (PubChem CID 7017659) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine
PubChem CID7017659
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine
SMILESNc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)3-13-4-12-2-5(10)1-11-12/h1-2H,3-4,10H2
InChIKeySNIXCDHCKPVOSY-UHFFFAOYSA-N
XLogP1.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine (CID 7017659) is 1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine is Nc1cnn(COCC(F)(F)F)c1.
What is the InChIKey of 1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine?
The InChIKey is SNIXCDHCKPVOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c7-6(8,9)3-13-4-12-2-5(10)1-11-12/h1-2H,3-4,10H2.
What are the key properties of 1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine?
1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine has a molecular weight of 195.14 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine is sourced from PubChem (CID 7017659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).