2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile

C16H18F3N5 — CID 78318305

IUPAC2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C(C)(C)C#N
InChIInChI=1S/C16H18F3N5/c1-9(2)24-13(15(3,4)8-20)6-12(23-24)10-5-11(16(17,18)19)14(21)22-7-10/h5-7,9H,1-4H3,(H2,21,22)
InChIKeySENTUVVGGFYZGU-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.93
Rot. Bonds3

About 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile

2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile (PubChem CID 78318305) has the molecular formula C16H18F3N5 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile
PubChem CID78318305
Molecular FormulaC16H18F3N5
Molecular Weight337.35 g/mol
Exact Mass337.15
IUPAC Name2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C(C)(C)C#N
InChIInChI=1S/C16H18F3N5/c1-9(2)24-13(15(3,4)8-20)6-12(23-24)10-5-11(16(17,18)19)14(21)22-7-10/h5-7,9H,1-4H3,(H2,21,22)
InChIKeySENTUVVGGFYZGU-UHFFFAOYSA-N
XLogP3.93
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile 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 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile (CID 78318305) is 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C(C)(C)C#N.
What is the InChIKey of 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile?
The InChIKey is SENTUVVGGFYZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5/c1-9(2)24-13(15(3,4)8-20)6-12(23-24)10-5-11(16(17,18)19)14(21)22-7-10/h5-7,9H,1-4H3,(H2,21,22).
What are the key properties of 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile?
2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile has a molecular weight of 337.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile is sourced from PubChem (CID 78318305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).