2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol

C16H22N2O2 — CID 66059296

IUPAC2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(CC(CO)Cc2cc(C)nn2C)c1
InChIInChI=1S/C16H22N2O2/c1-12-7-15(18(2)17-12)9-14(11-19)8-13-5-4-6-16(10-13)20-3/h4-7,10,14,19H,8-9,11H2,1-3H3
InChIKeyDCNPVCILQKIZMI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds6

About 2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol

2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol (PubChem CID 66059296) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
PubChem CID66059296
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(CC(CO)Cc2cc(C)nn2C)c1
InChIInChI=1S/C16H22N2O2/c1-12-7-15(18(2)17-12)9-14(11-19)8-13-5-4-6-16(10-13)20-3/h4-7,10,14,19H,8-9,11H2,1-3H3
InChIKeyDCNPVCILQKIZMI-UHFFFAOYSA-N
XLogP2.13
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66060151
2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66060150
2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059508
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propan-1-ol
CID 66058670
2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol
CID 66059930
2-[(3-methoxyphenyl)methyl]octan-1-ol
CID 66058454
1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol
CID 115811610
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304825
5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol
CID 113474719
5-[2-(bromomethyl)-3-(3-methoxyphenyl)propyl]-4-chloro-1,3-dimethylpyrazole
CID 66043139
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol (CID 66059296) is 2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol is COc1cccc(CC(CO)Cc2cc(C)nn2C)c1.
What is the InChIKey of 2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
The InChIKey is DCNPVCILQKIZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-7-15(18(2)17-12)9-14(11-19)8-13-5-4-6-16(10-13)20-3/h4-7,10,14,19H,8-9,11H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 66059296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).