3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole

C20H34N4O2 — CID 167310460

IUPAC3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole
SMILESCOCCn1ccc(C(C)(C)COC[C@@H](C)n2ccc(C(C)(C)C)n2)n1
InChIInChI=1S/C20H34N4O2/c1-16(24-11-9-17(22-24)19(2,3)4)14-26-15-20(5,6)18-8-10-23(21-18)12-13-25-7/h8-11,16H,12-15H2,1-7H3/t16-/m1/s1
InChIKeyZWBWKOSYXLXCSJ-MRXNPFEDSA-N
MW362.52 g/mol
LogP3.58
Rot. Bonds9

About 3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole

3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole (PubChem CID 167310460) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole.

Molecular Properties

Compound Name3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole
PubChem CID167310460
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole
SMILESCOCCn1ccc(C(C)(C)COC[C@@H](C)n2ccc(C(C)(C)C)n2)n1
InChIInChI=1S/C20H34N4O2/c1-16(24-11-9-17(22-24)19(2,3)4)14-26-15-20(5,6)18-8-10-23(21-18)12-13-25-7/h8-11,16H,12-15H2,1-7H3/t16-/m1/s1
InChIKeyZWBWKOSYXLXCSJ-MRXNPFEDSA-N
XLogP3.58
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole?
The IUPAC name of 3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole (CID 167310460) is 3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole.
What is the SMILES notation for 3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole?
The canonical SMILES for 3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole is COCCn1ccc(C(C)(C)COC[C@@H](C)n2ccc(C(C)(C)C)n2)n1.
What is the InChIKey of 3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole?
The InChIKey is ZWBWKOSYXLXCSJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-16(24-11-9-17(22-24)19(2,3)4)14-26-15-20(5,6)18-8-10-23(21-18)12-13-25-7/h8-11,16H,12-15H2,1-7H3/t16-/m1/s1.
What are the key properties of 3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole?
3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole has a molecular weight of 362.52 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[(2R)-1-[2-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropoxy]propan-2-yl]pyrazole is sourced from PubChem (CID 167310460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).