1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine

C8H12F3N3 — CID 90423218

IUPAC1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine
SMILESCn1nc(C(C)(C)C(F)(F)F)cc1N
InChIInChI=1S/C8H12F3N3/c1-7(2,8(9,10)11)5-4-6(12)14(3)13-5/h4H,12H2,1-3H3
InChIKeyDVKRPBBIJMLJOZ-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.84
Rot. Bonds1

About 1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine

1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine (PubChem CID 90423218) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine
PubChem CID90423218
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine
SMILESCn1nc(C(C)(C)C(F)(F)F)cc1N
InChIInChI=1S/C8H12F3N3/c1-7(2,8(9,10)11)5-4-6(12)14(3)13-5/h4H,12H2,1-3H3
InChIKeyDVKRPBBIJMLJOZ-UHFFFAOYSA-N
XLogP1.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine (CID 90423218) is 1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine is Cn1nc(C(C)(C)C(F)(F)F)cc1N.
What is the InChIKey of 1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine?
The InChIKey is DVKRPBBIJMLJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-7(2,8(9,10)11)5-4-6(12)14(3)13-5/h4H,12H2,1-3H3.
What are the key properties of 1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine?
1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine has a molecular weight of 207.20 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 90423218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).