[4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol

C16H22N2O2 — CID 172876868

IUPAC[4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol
SMILESCOCCCn1cc(-c2cc(C)c(CO)c(C)c2)cn1
InChIInChI=1S/C16H22N2O2/c1-12-7-14(8-13(2)16(12)11-19)15-9-17-18(10-15)5-4-6-20-3/h7-10,19H,4-6,11H2,1-3H3
InChIKeyYKJCMNXCOHNKMF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.70
Rot. Bonds6

About [4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol

[4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol (PubChem CID 172876868) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol.

Molecular Properties

Compound Name[4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol
PubChem CID172876868
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol
SMILESCOCCCn1cc(-c2cc(C)c(CO)c(C)c2)cn1
InChIInChI=1S/C16H22N2O2/c1-12-7-14(8-13(2)16(12)11-19)15-9-17-18(10-15)5-4-6-20-3/h7-10,19H,4-6,11H2,1-3H3
InChIKeyYKJCMNXCOHNKMF-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
CID 166333734
2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
1-[4-[1-(3-methoxypropyl)pyrazol-4-yl]-3-methylphenyl]ethanone
CID 172877582
ethane;1-(3-methoxypropyl)pyrazol-4-amine
CID 178006933
[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol
CID 103412880
[2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol
CID 172876876
[2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol
CID 172876873
2,2,2-trifluoro-1-[1-(4-methoxybutyl)pyrazol-4-yl]ethanone
CID 104649580
2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol
CID 56716387
6-ethyl-4-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-2-carboxamide;propane
CID 170574669
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole
CID 166333732

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol?
The IUPAC name of [4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol (CID 172876868) is [4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol.
What is the SMILES notation for [4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol?
The canonical SMILES for [4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol is COCCCn1cc(-c2cc(C)c(CO)c(C)c2)cn1.
What is the InChIKey of [4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol?
The InChIKey is YKJCMNXCOHNKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-7-14(8-13(2)16(12)11-19)15-9-17-18(10-15)5-4-6-20-3/h7-10,19H,4-6,11H2,1-3H3.
What are the key properties of [4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol?
[4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol has a molecular weight of 274.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-methoxypropyl)pyrazol-4-yl]-2,6-dimethylphenyl]methanol is sourced from PubChem (CID 172876868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).