1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

C18H26N2O2 — CID 18560731

IUPAC1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H26N2O2/c1-13-10-14(2)20(19-13)11-16(21)12-22-17-8-6-15(7-9-17)18(3,4)5/h6-10,16,21H,11-12H2,1-5H3
InChIKeyVBBJAZQBBMZCLD-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.24
Rot. Bonds5

About 1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (PubChem CID 18560731) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
PubChem CID18560731
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H26N2O2/c1-13-10-14(2)20(19-13)11-16(21)12-22-17-8-6-15(7-9-17)18(3,4)5/h6-10,16,21H,11-12H2,1-5H3
InChIKeyVBBJAZQBBMZCLD-UHFFFAOYSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-Dimethyl-pyrazol-1-yl)-3-phenoxy-propan-2-ol
CID 3127806
N-{4-[2-hydroxy-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propoxy]phenyl}acetamide
CID 5298752
1-(3,5-dimethylphenoxy)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
CID 22331397
3-[3,5-Diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile
CID 9921911
2-[4-(3,5-Dimethylphenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9943816
1-Benzyloxy-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
CID 653117
1-{1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethyl-1H-pyrazol-4-yl}ethanone
CID 2962051
3-(2,6-Dimethylphenoxy)-1-(3,5-dimethylpyrazolyl)propan-2-ol
CID 3133158
1-(4-{[[(1,3-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}phenoxy)-3-(1-piperidinyl)-2-propanol
CID 16191452
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 3133155
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(p-tolyloxy)propan-2-ol
CID 3144351
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 22331396

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (CID 18560731) is 1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is Cc1cc(C)n(CC(O)COc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is VBBJAZQBBMZCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-10-14(2)20(19-13)11-16(21)12-22-17-8-6-15(7-9-17)18(3,4)5/h6-10,16,21H,11-12H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 302.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 18560731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).