5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole

C16H12ClFN2O — CID 58195281

IUPAC5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccccc1-c1cc(-c2c(F)cccc2Cl)[nH]n1
InChIInChI=1S/C16H12ClFN2O/c1-21-15-8-3-2-5-10(15)13-9-14(20-19-13)16-11(17)6-4-7-12(16)18/h2-9H,1H3,(H,19,20)
InChIKeyKPNJPJIOYQPNBD-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.54
Rot. Bonds3

About 5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole

5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole (PubChem CID 58195281) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole
PubChem CID58195281
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccccc1-c1cc(-c2c(F)cccc2Cl)[nH]n1
InChIInChI=1S/C16H12ClFN2O/c1-21-15-8-3-2-5-10(15)13-9-14(20-19-13)16-11(17)6-4-7-12(16)18/h2-9H,1H3,(H,19,20)
InChIKeyKPNJPJIOYQPNBD-UHFFFAOYSA-N
XLogP4.54
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole (CID 58195281) is 5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole is COc1ccccc1-c1cc(-c2c(F)cccc2Cl)[nH]n1.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole?
The InChIKey is KPNJPJIOYQPNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-21-15-8-3-2-5-10(15)13-9-14(20-19-13)16-11(17)6-4-7-12(16)18/h2-9H,1H3,(H,19,20).
What are the key properties of 5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole?
5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole has a molecular weight of 302.74 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 58195281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).