[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone

C23H25F2N3O3 — CID 68718081

IUPAC[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1N=C(c2cc(F)ccc2F)CC1(CCCO)c1ccccc1
InChIInChI=1S/C23H25F2N3O3/c24-18-7-8-20(25)19(15-18)21-16-23(9-4-12-29,17-5-2-1-3-6-17)28(26-21)22(30)27-10-13-31-14-11-27/h1-3,5-8,15,29H,4,9-14,16H2
InChIKeyXPUOZMWDZVHATD-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.49
Rot. Bonds5

About [3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone

[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone (PubChem CID 68718081) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is [3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone
PubChem CID68718081
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Name[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1N=C(c2cc(F)ccc2F)CC1(CCCO)c1ccccc1
InChIInChI=1S/C23H25F2N3O3/c24-18-7-8-20(25)19(15-18)21-16-23(9-4-12-29,17-5-2-1-3-6-17)28(26-21)22(30)27-10-13-31-14-11-27/h1-3,5-8,15,29H,4,9-14,16H2
InChIKeyXPUOZMWDZVHATD-UHFFFAOYSA-N
XLogP3.49
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone (CID 68718081) is [3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1N=C(c2cc(F)ccc2F)CC1(CCCO)c1ccccc1.
What is the InChIKey of [3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone?
The InChIKey is XPUOZMWDZVHATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c24-18-7-8-20(25)19(15-18)21-16-23(9-4-12-29,17-5-2-1-3-6-17)28(26-21)22(30)27-10-13-31-14-11-27/h1-3,5-8,15,29H,4,9-14,16H2.
What are the key properties of [3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone?
[3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone has a molecular weight of 429.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 68718081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).