4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile

C23H16FN3O — CID 141141752

IUPAC4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile
SMILESCOc1ccccc1-n1nc(-c2ccc(C#N)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C23H16FN3O/c1-28-23-5-3-2-4-21(23)27-22(18-10-12-19(24)13-11-18)14-20(26-27)17-8-6-16(15-25)7-9-17/h2-14H,1H3
InChIKeyLUJIAGUGMJNPMB-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.23
Rot. Bonds4

About 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile

4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile (PubChem CID 141141752) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile
PubChem CID141141752
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile
SMILESCOc1ccccc1-n1nc(-c2ccc(C#N)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C23H16FN3O/c1-28-23-5-3-2-4-21(23)27-22(18-10-12-19(24)13-11-18)14-20(26-27)17-8-6-16(15-25)7-9-17/h2-14H,1H3
InChIKeyLUJIAGUGMJNPMB-UHFFFAOYSA-N
XLogP5.23
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole
CID 4575566
1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568811
3,5-bis(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole
CID 19587583
4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile
CID 143438272
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587123
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949
2-[[3-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-5-methylbenzoic acid
CID 154060064
8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline
CID 1205496
5-(4-chlorophenyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-(2-methoxyphenyl)pyrazole
CID 73291875
3-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]benzonitrile
CID 43543000
4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile
CID 71571264

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile?
The IUPAC name of 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile (CID 141141752) is 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile is COc1ccccc1-n1nc(-c2ccc(C#N)cc2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile?
The InChIKey is LUJIAGUGMJNPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O/c1-28-23-5-3-2-4-21(23)27-22(18-10-12-19(24)13-11-18)14-20(26-27)17-8-6-16(15-25)7-9-17/h2-14H,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile?
4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile has a molecular weight of 369.40 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile is sourced from PubChem (CID 141141752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).