1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol

C14H26N2O3 — CID 135297556

IUPAC1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)COCC(C)(C)n1ccc(CO)n1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)12(18)9-19-10-14(4,5)16-7-6-11(8-17)15-16/h6-7,12,17-18H,8-10H2,1-5H3
InChIKeyRIOUGIDHWAHPGI-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.53
Rot. Bonds6

About 1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol

1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol (PubChem CID 135297556) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol
PubChem CID135297556
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)COCC(C)(C)n1ccc(CO)n1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)12(18)9-19-10-14(4,5)16-7-6-11(8-17)15-16/h6-7,12,17-18H,8-10H2,1-5H3
InChIKeyRIOUGIDHWAHPGI-UHFFFAOYSA-N
XLogP1.53
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol (CID 135297556) is 1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)COCC(C)(C)n1ccc(CO)n1.
What is the InChIKey of 1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol?
The InChIKey is RIOUGIDHWAHPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)12(18)9-19-10-14(4,5)16-7-6-11(8-17)15-16/h6-7,12,17-18H,8-10H2,1-5H3.
What are the key properties of 1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol?
1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol has a molecular weight of 270.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(hydroxymethyl)pyrazol-1-yl]-2-methylpropoxy]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 135297556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).