2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol

C16H22N2O3 — CID 114633955

IUPAC2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
SMILESCCn1ncc(OC)c1C(C)(O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H22N2O3/c1-5-18-15(14(21-4)11-17-18)16(2,19)10-12-6-8-13(20-3)9-7-12/h6-9,11,19H,5,10H2,1-4H3
InChIKeyYPKGTIFAXQQQTF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.37
Rot. Bonds6

About 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol

2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol (PubChem CID 114633955) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
PubChem CID114633955
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
SMILESCCn1ncc(OC)c1C(C)(O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H22N2O3/c1-5-18-15(14(21-4)11-17-18)16(2,19)10-12-6-8-13(20-3)9-7-12/h6-9,11,19H,5,10H2,1-4H3
InChIKeyYPKGTIFAXQQQTF-UHFFFAOYSA-N
XLogP2.37
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633949
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol
CID 114633767
2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol
CID 114636352
2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633954
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-methoxyphenyl)ethanol
CID 114643108
3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114667004
1-cyclopropyl-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114636126
4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114665922
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
CID 114872310
1-(4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 55169667

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol (CID 114633955) is 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol is CCn1ncc(OC)c1C(C)(O)Cc1ccc(OC)cc1.
What is the InChIKey of 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
The InChIKey is YPKGTIFAXQQQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-18-15(14(21-4)11-17-18)16(2,19)10-12-6-8-13(20-3)9-7-12/h6-9,11,19H,5,10H2,1-4H3.
What are the key properties of 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol has a molecular weight of 290.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 114633955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).