[4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol

C21H25FN2O2 — CID 176914507

IUPAC[4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol
SMILESOCC1CC=C(c2ccc(-c3cnn(C4CCCCO4)c3)cc2F)CC1
InChIInChI=1S/C21H25FN2O2/c22-20-11-17(8-9-19(20)16-6-4-15(14-25)5-7-16)18-12-23-24(13-18)21-3-1-2-10-26-21/h6,8-9,11-13,15,21,25H,1-5,7,10,14H2
InChIKeyOQYZCIJTUINYHA-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.56
Rot. Bonds4

About [4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol

[4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol (PubChem CID 176914507) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is [4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol
PubChem CID176914507
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name[4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol
SMILESOCC1CC=C(c2ccc(-c3cnn(C4CCCCO4)c3)cc2F)CC1
InChIInChI=1S/C21H25FN2O2/c22-20-11-17(8-9-19(20)16-6-4-15(14-25)5-7-16)18-12-23-24(13-18)21-3-1-2-10-26-21/h6,8-9,11-13,15,21,25H,1-5,7,10,14H2
InChIKeyOQYZCIJTUINYHA-UHFFFAOYSA-N
XLogP4.56
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol?
The IUPAC name of [4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol (CID 176914507) is [4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol is OCC1CC=C(c2ccc(-c3cnn(C4CCCCO4)c3)cc2F)CC1.
What is the InChIKey of [4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol?
The InChIKey is OQYZCIJTUINYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-20-11-17(8-9-19(20)16-6-4-15(14-25)5-7-16)18-12-23-24(13-18)21-3-1-2-10-26-21/h6,8-9,11-13,15,21,25H,1-5,7,10,14H2.
What are the key properties of [4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol?
[4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol has a molecular weight of 356.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 176914507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).