1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine

C14H16F3N3 — CID 69057239

IUPAC1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCC(C)(C)n1nc(-c2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C14H16F3N3/c1-13(2,3)20-12(18)8-11(19-20)9-4-6-10(7-5-9)14(15,16)17/h4-8H,18H2,1-3H3
InChIKeyOBAKGHNWLDGHBT-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.91
Rot. Bonds1

About 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine

1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 69057239) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID69057239
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCC(C)(C)n1nc(-c2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C14H16F3N3/c1-13(2,3)20-12(18)8-11(19-20)9-4-6-10(7-5-9)14(15,16)17/h4-8H,18H2,1-3H3
InChIKeyOBAKGHNWLDGHBT-UHFFFAOYSA-N
XLogP3.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 69057239) is 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine is CC(C)(C)n1nc(-c2ccc(C(F)(F)F)cc2)cc1N.
What is the InChIKey of 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is OBAKGHNWLDGHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-13(2,3)20-12(18)8-11(19-20)9-4-6-10(7-5-9)14(15,16)17/h4-8H,18H2,1-3H3.
What are the key properties of 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 283.30 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 69057239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).