[3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol

C18H17FN2O2 — CID 155672072

IUPAC[3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol
SMILESCc1cc(COc2ccc(CO)cc2F)n(-c2ccccc2)n1
InChIInChI=1S/C18H17FN2O2/c1-13-9-16(21(20-13)15-5-3-2-4-6-15)12-23-18-8-7-14(11-22)10-17(18)19/h2-10,22H,11-12H2,1H3
InChIKeySQDUQGFRDKQLJU-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.39
Rot. Bonds5

About [3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol

[3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol (PubChem CID 155672072) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is [3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol
PubChem CID155672072
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name[3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol
SMILESCc1cc(COc2ccc(CO)cc2F)n(-c2ccccc2)n1
InChIInChI=1S/C18H17FN2O2/c1-13-9-16(21(20-13)15-5-3-2-4-6-15)12-23-18-8-7-14(11-22)10-17(18)19/h2-10,22H,11-12H2,1H3
InChIKeySQDUQGFRDKQLJU-UHFFFAOYSA-N
XLogP3.39
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol (CID 155672072) is [3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol is Cc1cc(COc2ccc(CO)cc2F)n(-c2ccccc2)n1.
What is the InChIKey of [3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol?
The InChIKey is SQDUQGFRDKQLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-13-9-16(21(20-13)15-5-3-2-4-6-15)12-23-18-8-7-14(11-22)10-17(18)19/h2-10,22H,11-12H2,1H3.
What are the key properties of [3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol?
[3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol has a molecular weight of 312.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 155672072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).