2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol

C16H22N2O2 — CID 114636352

IUPAC2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol
SMILESCCn1ncc(OC)c1C(O)(CC)Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-4-16(19,11-13-9-7-6-8-10-13)15-14(20-3)12-17-18(15)5-2/h6-10,12,19H,4-5,11H2,1-3H3
InChIKeyHHTAPIOSEFUERQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.75
Rot. Bonds6

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

2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol (PubChem CID 114636352) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol
PubChem CID114636352
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol
SMILESCCn1ncc(OC)c1C(O)(CC)Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-4-16(19,11-13-9-7-6-8-10-13)15-14(20-3)12-17-18(15)5-2/h6-10,12,19H,4-5,11H2,1-3H3
InChIKeyHHTAPIOSEFUERQ-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633955
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
1-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)pentan-2-ol
CID 114637770
1-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114637758
1-cyclopropyl-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114636126
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
CID 114872310
4-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)butan-2-ol
CID 114665909
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol
CID 114633767
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-ol
CID 114635552
2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol
CID 79007571
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-phenylbutan-2-ol
CID 114636350
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol?
The IUPAC name of 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol (CID 114636352) is 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol.
What is the SMILES notation for 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol?
The canonical SMILES for 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol is CCn1ncc(OC)c1C(O)(CC)Cc1ccccc1.
What is the InChIKey of 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol?
The InChIKey is HHTAPIOSEFUERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-16(19,11-13-9-7-6-8-10-13)15-14(20-3)12-17-18(15)5-2/h6-10,12,19H,4-5,11H2,1-3H3.
What are the key properties of 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol?
2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol is sourced from PubChem (CID 114636352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).