2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol

C16H15FN2O — CID 4193392

IUPAC2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol
SMILESCc1ccc(O)c(C2=CC(c3ccc(F)cc3)NN2)c1
InChIInChI=1S/C16H15FN2O/c1-10-2-7-16(20)13(8-10)15-9-14(18-19-15)11-3-5-12(17)6-4-11/h2-9,14,18-20H,1H3
InChIKeyKAMDQDRYTQYFLW-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.03
Rot. Bonds2

About 2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol

2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol (PubChem CID 4193392) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol
PubChem CID4193392
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol
SMILESCc1ccc(O)c(C2=CC(c3ccc(F)cc3)NN2)c1
InChIInChI=1S/C16H15FN2O/c1-10-2-7-16(20)13(8-10)15-9-14(18-19-15)11-3-5-12(17)6-4-11/h2-9,14,18-20H,1H3
InChIKeyKAMDQDRYTQYFLW-UHFFFAOYSA-N
XLogP3.03
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol?
The IUPAC name of 2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol (CID 4193392) is 2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol is Cc1ccc(O)c(C2=CC(c3ccc(F)cc3)NN2)c1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol?
The InChIKey is KAMDQDRYTQYFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-2-7-16(20)13(8-10)15-9-14(18-19-15)11-3-5-12(17)6-4-11/h2-9,14,18-20H,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol?
2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol has a molecular weight of 270.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol is sourced from PubChem (CID 4193392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).