1-phenyl-3-(trifluoromethyl)pyrazol-5-amine

C10H8F3N3 — CID 43158951

IUPAC1-phenyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1cc(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)8-6-9(14)16(15-8)7-4-2-1-3-5-7/h1-6H,14H2
InChIKeyATZQHBMKRKOPKS-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.47
Rot. Bonds1

About 1-phenyl-3-(trifluoromethyl)pyrazol-5-amine

1-phenyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 43158951) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 1-phenyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-phenyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID43158951
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name1-phenyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1cc(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)8-6-9(14)16(15-8)7-4-2-1-3-5-7/h1-6H,14H2
InChIKeyATZQHBMKRKOPKS-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-phenyl-3-(trifluoromethyl)pyrazol-5-amine (CID 43158951) is 1-phenyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-phenyl-3-(trifluoromethyl)pyrazol-5-amine is Nc1cc(C(F)(F)F)nn1-c1ccccc1.
What is the InChIKey of 1-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is ATZQHBMKRKOPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)8-6-9(14)16(15-8)7-4-2-1-3-5-7/h1-6H,14H2.
What are the key properties of 1-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
1-phenyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 227.19 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 43158951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).