4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol

C20H22F2N2O2 — CID 176914501

IUPAC4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol
SMILESOC1CC=C(c2ccc(-c3cnn(C4CCCCO4)c3)c(F)c2F)CC1
InChIInChI=1S/C20H22F2N2O2/c21-19-16(13-4-6-15(25)7-5-13)8-9-17(20(19)22)14-11-23-24(12-14)18-3-1-2-10-26-18/h4,8-9,11-12,15,18,25H,1-3,5-7,10H2
InChIKeyOVTSVCZOEGAIDR-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.46
Rot. Bonds3

About 4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol

4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol (PubChem CID 176914501) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol
PubChem CID176914501
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol
SMILESOC1CC=C(c2ccc(-c3cnn(C4CCCCO4)c3)c(F)c2F)CC1
InChIInChI=1S/C20H22F2N2O2/c21-19-16(13-4-6-15(25)7-5-13)8-9-17(20(19)22)14-11-23-24(12-14)18-3-1-2-10-26-18/h4,8-9,11-12,15,18,25H,1-3,5-7,10H2
InChIKeyOVTSVCZOEGAIDR-UHFFFAOYSA-N
XLogP4.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol?
The IUPAC name of 4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol (CID 176914501) is 4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol.
What is the SMILES notation for 4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol?
The canonical SMILES for 4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol is OC1CC=C(c2ccc(-c3cnn(C4CCCCO4)c3)c(F)c2F)CC1.
What is the InChIKey of 4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol?
The InChIKey is OVTSVCZOEGAIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-19-16(13-4-6-15(25)7-5-13)8-9-17(20(19)22)14-11-23-24(12-14)18-3-1-2-10-26-18/h4,8-9,11-12,15,18,25H,1-3,5-7,10H2.
What are the key properties of 4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol?
4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol has a molecular weight of 360.40 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclohex-3-en-1-ol is sourced from PubChem (CID 176914501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).