2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol

C14H18N2O2 — CID 82869305

IUPAC2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
SMILESCOc1ccc(C(C)(O)Cc2ccn(C)n2)cc1
InChIInChI=1S/C14H18N2O2/c1-14(17,10-12-8-9-16(2)15-12)11-4-6-13(18-3)7-5-11/h4-9,17H,10H2,1-3H3
InChIKeyRDWUDSFWQLPEJC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.88
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol

2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol (PubChem CID 82869305) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
PubChem CID82869305
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
SMILESCOc1ccc(C(C)(O)Cc2ccn(C)n2)cc1
InChIInChI=1S/C14H18N2O2/c1-14(17,10-12-8-9-16(2)15-12)11-4-6-13(18-3)7-5-11/h4-9,17H,10H2,1-3H3
InChIKeyRDWUDSFWQLPEJC-UHFFFAOYSA-N
XLogP1.88
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 114083203
2-(3-fluorophenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 82868856
1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618961
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882063
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol
CID 574332
2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82869106
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79778765
diethyl 2-methyl-2-[(1-methylpyrazol-3-yl)methyl]propanedioate
CID 103972610
2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82870328

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol (CID 82869305) is 2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol is COc1ccc(C(C)(O)Cc2ccn(C)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol?
The InChIKey is RDWUDSFWQLPEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(17,10-12-8-9-16(2)15-12)11-4-6-13(18-3)7-5-11/h4-9,17H,10H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol?
2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 82869305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).