[2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol

C17H21FN2O2 — CID 171906147

IUPAC[2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol
SMILESCc1cc(CO)c(F)cc1-c1cnn(CC2CCOCC2)c1
InChIInChI=1S/C17H21FN2O2/c1-12-6-14(11-21)17(18)7-16(12)15-8-19-20(10-15)9-13-2-4-22-5-3-13/h6-8,10,13,21H,2-5,9,11H2,1H3
InChIKeyYMICEPVHCXFSMJ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.92
Rot. Bonds4

About [2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol

[2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol (PubChem CID 171906147) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is [2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol
PubChem CID171906147
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name[2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol
SMILESCc1cc(CO)c(F)cc1-c1cnn(CC2CCOCC2)c1
InChIInChI=1S/C17H21FN2O2/c1-12-6-14(11-21)17(18)7-16(12)15-8-19-20(10-15)9-13-2-4-22-5-3-13/h6-8,10,13,21H,2-5,9,11H2,1H3
InChIKeyYMICEPVHCXFSMJ-UHFFFAOYSA-N
XLogP2.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol?
The IUPAC name of [2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol (CID 171906147) is [2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol?
The canonical SMILES for [2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol is Cc1cc(CO)c(F)cc1-c1cnn(CC2CCOCC2)c1.
What is the InChIKey of [2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol?
The InChIKey is YMICEPVHCXFSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12-6-14(11-21)17(18)7-16(12)15-8-19-20(10-15)9-13-2-4-22-5-3-13/h6-8,10,13,21H,2-5,9,11H2,1H3.
What are the key properties of [2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol?
[2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol has a molecular weight of 304.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol is sourced from PubChem (CID 171906147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).