2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile

C12H10FN3 — CID 83534213

IUPAC2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile
SMILESCc1cc(C#N)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C12H10FN3/c1-9-6-12(7-14)16(15-9)8-10-2-4-11(13)5-3-10/h2-6H,8H2,1H3
InChIKeyIYMPLIYZTWSJRT-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.25
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile

2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile (PubChem CID 83534213) has the molecular formula C12H10FN3 and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile
PubChem CID83534213
Molecular FormulaC12H10FN3
Molecular Weight215.23 g/mol
Exact Mass215.09
IUPAC Name2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile
SMILESCc1cc(C#N)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C12H10FN3/c1-9-6-12(7-14)16(15-9)8-10-2-4-11(13)5-3-10/h2-6H,8H2,1H3
InChIKeyIYMPLIYZTWSJRT-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carbonitrile
CID 63787754
2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile
CID 83537191
1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole
CID 59281596
1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
CID 144748277
1-[(4-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784476
4-amino-1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxy]pyrrole-2-carbonitrile
CID 100772722
5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100765048
1-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]ethanone
CID 139467373
4-[(3,5-dimethylpyrazol-1-yl)methyl]aniline;dihydrochloride
CID 45123702
5-butyl-1-[(4-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82203488
1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 102620265

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile (CID 83534213) is 2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile is Cc1cc(C#N)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile?
The InChIKey is IYMPLIYZTWSJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3/c1-9-6-12(7-14)16(15-9)8-10-2-4-11(13)5-3-10/h2-6H,8H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile?
2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile has a molecular weight of 215.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 83534213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).