2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile

C10H9F3N4 — CID 87848199

IUPAC2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile
SMILESCc1cnn(C(CC(F)(F)F)C(C#N)C#N)c1
InChIInChI=1S/C10H9F3N4/c1-7-5-16-17(6-7)9(2-10(11,12)13)8(3-14)4-15/h5-6,8-9H,2H2,1H3
InChIKeyKVIHGALYROOANL-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.35
Rot. Bonds3

About 2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile

2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile (PubChem CID 87848199) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile.

Molecular Properties

Compound Name2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile
PubChem CID87848199
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile
SMILESCc1cnn(C(CC(F)(F)F)C(C#N)C#N)c1
InChIInChI=1S/C10H9F3N4/c1-7-5-16-17(6-7)9(2-10(11,12)13)8(3-14)4-15/h5-6,8-9H,2H2,1H3
InChIKeyKVIHGALYROOANL-UHFFFAOYSA-N
XLogP2.35
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile 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-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile?
The IUPAC name of 2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile (CID 87848199) is 2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile.
What is the SMILES notation for 2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile?
The canonical SMILES for 2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile is Cc1cnn(C(CC(F)(F)F)C(C#N)C#N)c1.
What is the InChIKey of 2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile?
The InChIKey is KVIHGALYROOANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c1-7-5-16-17(6-7)9(2-10(11,12)13)8(3-14)4-15/h5-6,8-9H,2H2,1H3.
What are the key properties of 2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile?
2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile has a molecular weight of 242.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3,3-trifluoro-1-(4-methylpyrazol-1-yl)propyl]propanedinitrile is sourced from PubChem (CID 87848199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).