1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol

C16H22N2O — CID 63084667

IUPAC1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol
SMILESCCn1cc(CC(O)C(C)(C)c2ccccc2)cn1
InChIInChI=1S/C16H22N2O/c1-4-18-12-13(11-17-18)10-15(19)16(2,3)14-8-6-5-7-9-14/h5-9,11-12,15,19H,4,10H2,1-3H3
InChIKeyPNRAQZDQYKKFID-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.78
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol

1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol (PubChem CID 63084667) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol
PubChem CID63084667
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol
SMILESCCn1cc(CC(O)C(C)(C)c2ccccc2)cn1
InChIInChI=1S/C16H22N2O/c1-4-18-12-13(11-17-18)10-15(19)16(2,3)14-8-6-5-7-9-14/h5-9,11-12,15,19H,4,10H2,1-3H3
InChIKeyPNRAQZDQYKKFID-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-ethylphenyl)-3-methyl-3-phenylbutan-2-ol
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1-(4-bromophenyl)-3-methyl-3-phenylbutan-2-ol
CID 63083837
4-(3-chloro-2-methyl-3-phenylpropyl)-1-ethylpyrazole
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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol (CID 63084667) is 1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol is CCn1cc(CC(O)C(C)(C)c2ccccc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol?
The InChIKey is PNRAQZDQYKKFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-18-12-13(11-17-18)10-15(19)16(2,3)14-8-6-5-7-9-14/h5-9,11-12,15,19H,4,10H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol?
1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol has a molecular weight of 258.37 g/mol, XLogP of 2.78, 5 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)-3-methyl-3-phenylbutan-2-ol is sourced from PubChem (CID 63084667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).