1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine

C8H13F2N3 — CID 146284501

IUPAC1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine
SMILESCC(C)(C)n1nc(C(F)F)cc1N
InChIInChI=1S/C8H13F2N3/c1-8(2,3)13-6(11)4-5(12-13)7(9)10/h4,7H,11H2,1-3H3
InChIKeyMICYEGCEYBBAKQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.16
Rot. Bonds1

About 1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine

1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine (PubChem CID 146284501) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine
PubChem CID146284501
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine
SMILESCC(C)(C)n1nc(C(F)F)cc1N
InChIInChI=1S/C8H13F2N3/c1-8(2,3)13-6(11)4-5(12-13)7(9)10/h4,7H,11H2,1-3H3
InChIKeyMICYEGCEYBBAKQ-UHFFFAOYSA-N
XLogP2.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.16
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-(difluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine (CID 146284501) is 1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine is CC(C)(C)n1nc(C(F)F)cc1N.
What is the InChIKey of 1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine?
The InChIKey is MICYEGCEYBBAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-8(2,3)13-6(11)4-5(12-13)7(9)10/h4,7H,11H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine?
1-tert-butyl-3-(difluoromethyl)pyrazol-5-amine has a molecular weight of 189.21 g/mol, XLogP of 2.16, 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-(difluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 146284501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).