2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile

C9H10F3N3 — CID 71190456

IUPAC2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile
SMILESCCc1c(C(F)(F)F)nn(CC#N)c1C
InChIInChI=1S/C9H10F3N3/c1-3-7-6(2)15(5-4-13)14-8(7)9(10,11)12/h3,5H2,1-2H3
InChIKeyVBGGGIPFKVPHIP-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.30
Rot. Bonds2

About 2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile

2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile (PubChem CID 71190456) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile
PubChem CID71190456
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile
SMILESCCc1c(C(F)(F)F)nn(CC#N)c1C
InChIInChI=1S/C9H10F3N3/c1-3-7-6(2)15(5-4-13)14-8(7)9(10,11)12/h3,5H2,1-2H3
InChIKeyVBGGGIPFKVPHIP-UHFFFAOYSA-N
XLogP2.30
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-ethynyl-1,3,5-trimethyl-1H-pyrazole
CID 12299300
1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime
CID 9559822
Sbb010340
CID 6492580
2-(trimethyl-1H-pyrazol-4-yl)acetonitrile
CID 13792877
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
3-(3-(Trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)propanenitrile
CID 25247413
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
1,3,5-Trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole
CID 99802468

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile?
The IUPAC name of 2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile (CID 71190456) is 2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile is CCc1c(C(F)(F)F)nn(CC#N)c1C.
What is the InChIKey of 2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile?
The InChIKey is VBGGGIPFKVPHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-3-7-6(2)15(5-4-13)14-8(7)9(10,11)12/h3,5H2,1-2H3.
What are the key properties of 2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile?
2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile has a molecular weight of 217.19 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile is sourced from PubChem (CID 71190456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).