3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol

C19H20N2O2 — CID 172649346

IUPAC3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol
SMILESOCCCn1cc(-c2cccc(OCc3ccccc3)c2)cn1
InChIInChI=1S/C19H20N2O2/c22-11-5-10-21-14-18(13-20-21)17-8-4-9-19(12-17)23-15-16-6-2-1-3-7-16/h1-4,6-9,12-14,22H,5,10-11,15H2
InChIKeyXKJROXXKVNGDRL-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.51
Rot. Bonds7

About 3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol

3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol (PubChem CID 172649346) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol
PubChem CID172649346
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol
SMILESOCCCn1cc(-c2cccc(OCc3ccccc3)c2)cn1
InChIInChI=1S/C19H20N2O2/c22-11-5-10-21-14-18(13-20-21)17-8-4-9-19(12-17)23-15-16-6-2-1-3-7-16/h1-4,6-9,12-14,22H,5,10-11,15H2
InChIKeyXKJROXXKVNGDRL-UHFFFAOYSA-N
XLogP3.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol
CID 107703748
[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol
CID 172877663
2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride
CID 164607150
2-[2-(3-phenylmethoxyphenyl)imidazol-1-yl]ethanol
CID 56746066
1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
CID 166333734
1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
CID 175709836
4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole
CID 79787501
2-[5-phenyl-2-(3-phenylmethoxyphenyl)phenyl]ethanol
CID 122540105
5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 164893342
[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
CID 122435033
1-methyl-4-phenylmethoxypyrazole
CID 84661432
6-(3-phenylphenoxy)hexan-1-ol
CID 15006942

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol (CID 172649346) is 3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol is OCCCn1cc(-c2cccc(OCc3ccccc3)c2)cn1.
What is the InChIKey of 3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol?
The InChIKey is XKJROXXKVNGDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-11-5-10-21-14-18(13-20-21)17-8-4-9-19(12-17)23-15-16-6-2-1-3-7-16/h1-4,6-9,12-14,22H,5,10-11,15H2.
What are the key properties of 3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol?
3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol has a molecular weight of 308.38 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 172649346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).