1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol

C16H22N2O2 — CID 115811610

IUPAC1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(CCC(O)Cc2cc(C)nn2C)cc1
InChIInChI=1S/C16H22N2O2/c1-12-10-14(18(2)17-12)11-15(19)7-4-13-5-8-16(20-3)9-6-13/h5-6,8-10,15,19H,4,7,11H2,1-3H3
InChIKeyOCVQPQNQBPSMDM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.27
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol

1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol (PubChem CID 115811610) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol
PubChem CID115811610
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(CCC(O)Cc2cc(C)nn2C)cc1
InChIInChI=1S/C16H22N2O2/c1-12-10-14(18(2)17-12)11-15(19)7-4-13-5-8-16(20-3)9-6-13/h5-6,8-10,15,19H,4,7,11H2,1-3H3
InChIKeyOCVQPQNQBPSMDM-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008038
1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115802735
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol
CID 114255634
4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
CID 63016896
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115822379
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304825
1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198449
1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008036
(1S)-1-[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82002100
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996375
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol (CID 115811610) is 1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol is COc1ccc(CCC(O)Cc2cc(C)nn2C)cc1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol?
The InChIKey is OCVQPQNQBPSMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-10-14(18(2)17-12)11-15(19)7-4-13-5-8-16(20-3)9-6-13/h5-6,8-10,15,19H,4,7,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol?
1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 115811610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).