3,5-bis(2-methylpropyl)-3H-pyrazole

C11H20N2 — CID 173078604

IUPAC3,5-bis(2-methylpropyl)-3H-pyrazole
SMILESCC(C)CC1=CC(CC(C)C)N=N1
InChIInChI=1S/C11H20N2/c1-8(2)5-10-7-11(13-12-10)6-9(3)4/h7-10H,5-6H2,1-4H3
InChIKeyLXSQHQCGDAZYOJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.80
Rot. Bonds4

About 3,5-bis(2-methylpropyl)-3H-pyrazole

3,5-bis(2-methylpropyl)-3H-pyrazole (PubChem CID 173078604) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3,5-bis(2-methylpropyl)-3H-pyrazole.

Molecular Properties

Compound Name3,5-bis(2-methylpropyl)-3H-pyrazole
PubChem CID173078604
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3,5-bis(2-methylpropyl)-3H-pyrazole
SMILESCC(C)CC1=CC(CC(C)C)N=N1
InChIInChI=1S/C11H20N2/c1-8(2)5-10-7-11(13-12-10)6-9(3)4/h7-10H,5-6H2,1-4H3
InChIKeyLXSQHQCGDAZYOJ-UHFFFAOYSA-N
XLogP3.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dipropyl-3H-pyrazole
CID 22496959
3,5-dibutyl-3H-pyrazole
CID 22497050
3,5-di(propan-2-yl)-3H-pyrazole
CID 58574928
5-(2-methylpropyl)-3H-pyrazole
CID 59511340
5-(4-methylpentyl)-3H-pyrazole
CID 89419461
But-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium
CID 123507402
5-(3-methylbutyl)-3-(5-methylhexyl)-3H-pyrazole
CID 135215314
3,5-bis(4-methylpentyl)-3H-pyrazole
CID 155337188
3-(6-methylheptyl)-5-(2-methylpropyl)-3H-pyrazole
CID 155337190
5-(5-methylhexyl)-3-propyl-3H-pyrazole
CID 155337191
3-(3-methylbutyl)-5-(5-methylhexyl)-3H-pyrazole
CID 155337192
5-(6-methylheptyl)-3-(2-methylpropyl)-3H-pyrazole
CID 155337268

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methylpropyl)-3H-pyrazole?
The IUPAC name of 3,5-bis(2-methylpropyl)-3H-pyrazole (CID 173078604) is 3,5-bis(2-methylpropyl)-3H-pyrazole.
What is the SMILES notation for 3,5-bis(2-methylpropyl)-3H-pyrazole?
The canonical SMILES for 3,5-bis(2-methylpropyl)-3H-pyrazole is CC(C)CC1=CC(CC(C)C)N=N1.
What is the InChIKey of 3,5-bis(2-methylpropyl)-3H-pyrazole?
The InChIKey is LXSQHQCGDAZYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)5-10-7-11(13-12-10)6-9(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 3,5-bis(2-methylpropyl)-3H-pyrazole?
3,5-bis(2-methylpropyl)-3H-pyrazole has a molecular weight of 180.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methylpropyl)-3H-pyrazole is sourced from PubChem (CID 173078604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).