3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine

C12H13F3N4 — CID 43381323

IUPAC3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
SMILESCC(C)c1cc(N)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C12H13F3N4/c1-7(2)9-5-10(16)19(18-9)11-4-3-8(6-17-11)12(13,14)15/h3-7H,16H2,1-2H3
InChIKeyXCGRKYRTRZGHGU-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.99
Rot. Bonds2

About 3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine

3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine (PubChem CID 43381323) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
PubChem CID43381323
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
SMILESCC(C)c1cc(N)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C12H13F3N4/c1-7(2)9-5-10(16)19(18-9)11-4-3-8(6-17-11)12(13,14)15/h3-7H,16H2,1-2H3
InChIKeyXCGRKYRTRZGHGU-UHFFFAOYSA-N
XLogP2.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine?
The IUPAC name of 3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine (CID 43381323) is 3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine?
The canonical SMILES for 3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine is CC(C)c1cc(N)n(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine?
The InChIKey is XCGRKYRTRZGHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-7(2)9-5-10(16)19(18-9)11-4-3-8(6-17-11)12(13,14)15/h3-7H,16H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine?
3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine has a molecular weight of 270.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine is sourced from PubChem (CID 43381323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).