1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol

C20H22N2O2 — CID 15943427

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C20H22N2O2/c1-15-12-16(2)22(21-15)13-19(23)14-24-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-12,19,23H,13-14H2,1-2H3
InChIKeyNLDGOKNSVVLYMQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.61
Rot. Bonds6

About 1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 15943427) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
PubChem CID15943427
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C20H22N2O2/c1-15-12-16(2)22(21-15)13-19(23)14-24-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-12,19,23H,13-14H2,1-2H3
InChIKeyNLDGOKNSVVLYMQ-UHFFFAOYSA-N
XLogP3.61
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[4-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1099341
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[3-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1203734
(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 7347345
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 1094986
1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 43531447
1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol
CID 63988452
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 807758
(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 40793174
[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-trimethylazanium
CID 51859248
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol (CID 15943427) is 1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol is Cc1cc(C)n(CC(O)COc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is NLDGOKNSVVLYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-12-16(2)22(21-15)13-19(23)14-24-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-12,19,23H,13-14H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 322.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 15943427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).