3,5-bis(3-methylbutyl)-3H-pyrazole

C13H24N2 — CID 155337275

IUPAC3,5-bis(3-methylbutyl)-3H-pyrazole
SMILESCC(C)CCC1=CC(CCC(C)C)N=N1
InChIInChI=1S/C13H24N2/c1-10(2)5-7-12-9-13(15-14-12)8-6-11(3)4/h9-12H,5-8H2,1-4H3
InChIKeyUTBFHNKAXKGODA-UHFFFAOYSA-N
MW208.35 g/mol
LogP4.58
Rot. Bonds6

About 3,5-bis(3-methylbutyl)-3H-pyrazole

3,5-bis(3-methylbutyl)-3H-pyrazole (PubChem CID 155337275) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3,5-bis(3-methylbutyl)-3H-pyrazole.

Molecular Properties

Compound Name3,5-bis(3-methylbutyl)-3H-pyrazole
PubChem CID155337275
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3,5-bis(3-methylbutyl)-3H-pyrazole
SMILESCC(C)CCC1=CC(CCC(C)C)N=N1
InChIInChI=1S/C13H24N2/c1-10(2)5-7-12-9-13(15-14-12)8-6-11(3)4/h9-12H,5-8H2,1-4H3
InChIKeyUTBFHNKAXKGODA-UHFFFAOYSA-N
XLogP4.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methylbutyl)-3H-pyrazole?
The IUPAC name of 3,5-bis(3-methylbutyl)-3H-pyrazole (CID 155337275) is 3,5-bis(3-methylbutyl)-3H-pyrazole.
What is the SMILES notation for 3,5-bis(3-methylbutyl)-3H-pyrazole?
The canonical SMILES for 3,5-bis(3-methylbutyl)-3H-pyrazole is CC(C)CCC1=CC(CCC(C)C)N=N1.
What is the InChIKey of 3,5-bis(3-methylbutyl)-3H-pyrazole?
The InChIKey is UTBFHNKAXKGODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(2)5-7-12-9-13(15-14-12)8-6-11(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 3,5-bis(3-methylbutyl)-3H-pyrazole?
3,5-bis(3-methylbutyl)-3H-pyrazole has a molecular weight of 208.35 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-methylbutyl)-3H-pyrazole is sourced from PubChem (CID 155337275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).