2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol

C17H24N2O2 — CID 66059687

IUPAC2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
SMILESCOc1ccc(CC(CO)Cc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C17H24N2O2/c1-13(2)19-9-8-16(18-19)11-15(12-20)10-14-4-6-17(21-3)7-5-14/h4-9,13,15,20H,10-12H2,1-3H3
InChIKeyYEPLPFWSQVKHHA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.87
Rot. Bonds7

About 2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol

2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol (PubChem CID 66059687) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
PubChem CID66059687
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
SMILESCOc1ccc(CC(CO)Cc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C17H24N2O2/c1-13(2)19-9-8-16(18-19)11-15(12-20)10-14-4-6-17(21-3)7-5-14/h4-9,13,15,20H,10-12H2,1-3H3
InChIKeyYEPLPFWSQVKHHA-UHFFFAOYSA-N
XLogP2.87
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 66059261
2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
2-[(4-bromophenyl)methyl]-3-(1-butan-2-ylpyrazol-3-yl)propan-1-ol
CID 66060549
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(4-chlorophenyl)propan-1-ol
CID 66059463
1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771008
1-(4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 64772608
2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645241
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64770857
4-ethoxy-2-[(4-methoxyphenyl)methyl]butan-1-ol
CID 66058011
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
2-[(5-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)propan-1-ol
CID 66059477

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol (CID 66059687) is 2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol is COc1ccc(CC(CO)Cc2ccn(C(C)C)n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol?
The InChIKey is YEPLPFWSQVKHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)19-9-8-16(18-19)11-15(12-20)10-14-4-6-17(21-3)7-5-14/h4-9,13,15,20H,10-12H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol?
2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 66059687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).