1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole

C16H26N4O2 — CID 141314461

IUPAC1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole
SMILESCOC(C)(C)Cn1ccc(-c2ccn(CCOC(C)C)n2)n1
InChIInChI=1S/C16H26N4O2/c1-13(2)22-11-10-19-8-6-14(17-19)15-7-9-20(18-15)12-16(3,4)21-5/h6-9,13H,10-12H2,1-5H3
InChIKeyMDDDJTQPBSJAPZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.60
Rot. Bonds8

About 1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole

1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole (PubChem CID 141314461) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole
PubChem CID141314461
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole
SMILESCOC(C)(C)Cn1ccc(-c2ccn(CCOC(C)C)n2)n1
InChIInChI=1S/C16H26N4O2/c1-13(2)22-11-10-19-8-6-14(17-19)15-7-9-20(18-15)12-16(3,4)21-5/h6-9,13H,10-12H2,1-5H3
InChIKeyMDDDJTQPBSJAPZ-UHFFFAOYSA-N
XLogP2.60
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole (CID 141314461) is 1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole is COC(C)(C)Cn1ccc(-c2ccn(CCOC(C)C)n2)n1.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole?
The InChIKey is MDDDJTQPBSJAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13(2)22-11-10-19-8-6-14(17-19)15-7-9-20(18-15)12-16(3,4)21-5/h6-9,13H,10-12H2,1-5H3.
What are the key properties of 1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole?
1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole has a molecular weight of 306.41 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole is sourced from PubChem (CID 141314461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).