1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol

C15H20N2O — CID 63086390

IUPAC1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol
SMILESCCn1cc(C(O)C(C)(C)c2ccccc2)cn1
InChIInChI=1S/C15H20N2O/c1-4-17-11-12(10-16-17)14(18)15(2,3)13-8-6-5-7-9-13/h5-11,14,18H,4H2,1-3H3
InChIKeyKMBKPKVTALXNQL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.91
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol

1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol (PubChem CID 63086390) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol
PubChem CID63086390
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol
SMILESCCn1cc(C(O)C(C)(C)c2ccccc2)cn1
InChIInChI=1S/C15H20N2O/c1-4-17-11-12(10-16-17)14(18)15(2,3)13-8-6-5-7-9-13/h5-11,14,18H,4H2,1-3H3
InChIKeyKMBKPKVTALXNQL-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol
CID 63084667
2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol
CID 103449416
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
2-methyl-2-phenyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 63975212
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol
CID 65141783
2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 63894691
1-[1-(2-phenylsulfanylethyl)pyrazol-4-yl]propan-1-ol
CID 79228275
2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 65142294
2-[(1-ethylpyrazol-4-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 103570644
1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780635
(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol
CID 103788757

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol (CID 63086390) is 1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol is CCn1cc(C(O)C(C)(C)c2ccccc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol?
The InChIKey is KMBKPKVTALXNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-17-11-12(10-16-17)14(18)15(2,3)13-8-6-5-7-9-13/h5-11,14,18H,4H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol?
1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol has a molecular weight of 244.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-2-methyl-2-phenylpropan-1-ol is sourced from PubChem (CID 63086390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).