1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol

C19H19ClN2O2 — CID 109411858

IUPAC1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol
SMILESOC(COC(c1ccccc1)c1ccccc1)Cn1cc(Cl)cn1
InChIInChI=1S/C19H19ClN2O2/c20-17-11-21-22(12-17)13-18(23)14-24-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,18-19,23H,13-14H2
InChIKeyXWPXOJRYXXDZIK-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.70
Rot. Bonds7

About 1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol

1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol (PubChem CID 109411858) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol
PubChem CID109411858
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol
SMILESOC(COC(c1ccccc1)c1ccccc1)Cn1cc(Cl)cn1
InChIInChI=1S/C19H19ClN2O2/c20-17-11-21-22(12-17)13-18(23)14-24-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,18-19,23H,13-14H2
InChIKeyXWPXOJRYXXDZIK-UHFFFAOYSA-N
XLogP3.70
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methoxy]-3-(4-chloropyrazol-1-yl)propan-2-ol
CID 109411868
(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 7746132
1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 4224882
3-(4-chloropyrazol-1-yl)-2-phenylpropanethioamide
CID 64537747
1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 109411848
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-[bis(4-chlorophenyl)methoxy]propan-2-ol
CID 98291992
(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 2327371
1-[3-[(2S)-3-(4-chloropyrazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 97327179
(1R)-1-(3-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol
CID 97327175
1-(4-chloropyrazol-1-yl)-3-(3-nitrophenoxy)propan-2-ol
CID 75432712
3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
CID 19570387
1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol
CID 84590338

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol (CID 109411858) is 1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol is OC(COC(c1ccccc1)c1ccccc1)Cn1cc(Cl)cn1.
What is the InChIKey of 1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol?
The InChIKey is XWPXOJRYXXDZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-17-11-21-22(12-17)13-18(23)14-24-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,18-19,23H,13-14H2.
What are the key properties of 1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol?
1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol has a molecular weight of 342.83 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-(4-chloropyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 109411858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).