2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile

C12H10FN3 — CID 82078555

IUPAC2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile
SMILESCc1cc(CC#N)nn1-c1ccccc1F
InChIInChI=1S/C12H10FN3/c1-9-8-10(6-7-14)15-16(9)12-5-3-2-4-11(12)13/h2-5,8H,6H2,1H3
InChIKeyITDYYRCREROXTK-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.39
Rot. Bonds2

About 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile

2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile (PubChem CID 82078555) has the molecular formula C12H10FN3 and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile
PubChem CID82078555
Molecular FormulaC12H10FN3
Molecular Weight215.23 g/mol
Exact Mass215.09
IUPAC Name2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile
SMILESCc1cc(CC#N)nn1-c1ccccc1F
InChIInChI=1S/C12H10FN3/c1-9-8-10(6-7-14)15-16(9)12-5-3-2-4-11(12)13/h2-5,8H,6H2,1H3
InChIKeyITDYYRCREROXTK-UHFFFAOYSA-N
XLogP2.39
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile?
The IUPAC name of 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile (CID 82078555) is 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile is Cc1cc(CC#N)nn1-c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile?
The InChIKey is ITDYYRCREROXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3/c1-9-8-10(6-7-14)15-16(9)12-5-3-2-4-11(12)13/h2-5,8H,6H2,1H3.
What are the key properties of 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile?
2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile has a molecular weight of 215.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile is sourced from PubChem (CID 82078555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).