3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine

C10H16F3N3 — CID 66643366

IUPAC3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(CCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-9(2,3)7-6-8(14)16(15-7)5-4-10(11,12)13/h6H,4-5,14H2,1-3H3
InChIKeySBOFXXQVRSPKAP-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.72
Rot. Bonds2

About 3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine

3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine (PubChem CID 66643366) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine
PubChem CID66643366
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(CCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-9(2,3)7-6-8(14)16(15-7)5-4-10(11,12)13/h6H,4-5,14H2,1-3H3
InChIKeySBOFXXQVRSPKAP-UHFFFAOYSA-N
XLogP2.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine (CID 66643366) is 3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine is CC(C)(C)c1cc(N)n(CCC(F)(F)F)n1.
What is the InChIKey of 3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine?
The InChIKey is SBOFXXQVRSPKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-9(2,3)7-6-8(14)16(15-7)5-4-10(11,12)13/h6H,4-5,14H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine?
3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine has a molecular weight of 235.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(3,3,3-trifluoropropyl)pyrazol-5-amine is sourced from PubChem (CID 66643366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).