1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol

C16H30N2O2 — CID 103037074

IUPAC1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol
SMILESCCc1nn(CCC(C)(C)OC)c(CC)c1C(O)CC
InChIInChI=1S/C16H30N2O2/c1-7-12-15(14(19)9-3)13(8-2)18(17-12)11-10-16(4,5)20-6/h14,19H,7-11H2,1-6H3
InChIKeyOBKTXZUSRGYGBX-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.27
Rot. Bonds8

About 1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol

1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol (PubChem CID 103037074) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol
PubChem CID103037074
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol
SMILESCCc1nn(CCC(C)(C)OC)c(CC)c1C(O)CC
InChIInChI=1S/C16H30N2O2/c1-7-12-15(14(19)9-3)13(8-2)18(17-12)11-10-16(4,5)20-6/h14,19H,7-11H2,1-6H3
InChIKeyOBKTXZUSRGYGBX-UHFFFAOYSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol (CID 103037074) is 1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol is CCc1nn(CCC(C)(C)OC)c(CC)c1C(O)CC.
What is the InChIKey of 1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is OBKTXZUSRGYGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-7-12-15(14(19)9-3)13(8-2)18(17-12)11-10-16(4,5)20-6/h14,19H,7-11H2,1-6H3.
What are the key properties of 1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol?
1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 282.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 103037074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).