N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

C8H12F3N3 — CID 115922513

IUPACN-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESCC(C)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3/c1-6(2)13-7-3-12-14(4-7)5-8(9,10)11/h3-4,6,13H,5H2,1-2H3
InChIKeyUCMXTZOUOAZOQO-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.27
Rot. Bonds3

About N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (PubChem CID 115922513) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
PubChem CID115922513
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC NameN-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESCC(C)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3/c1-6(2)13-7-3-12-14(4-7)5-8(9,10)11/h3-4,6,13H,5H2,1-2H3
InChIKeyUCMXTZOUOAZOQO-UHFFFAOYSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The IUPAC name of N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (CID 115922513) is N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.
What is the SMILES notation for N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The canonical SMILES for N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is CC(C)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The InChIKey is UCMXTZOUOAZOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-6(2)13-7-3-12-14(4-7)5-8(9,10)11/h3-4,6,13H,5H2,1-2H3.
What are the key properties of N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine has a molecular weight of 207.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 115922513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).