2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole

C12H24N2 — CID 168928377

IUPAC2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole
SMILESCC(C)CCC1=CN(C(C)(C)C)NC1
InChIInChI=1S/C12H24N2/c1-10(2)6-7-11-8-13-14(9-11)12(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyGWCDZWJVSNDMON-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.93
Rot. Bonds3

About 2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole

2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole (PubChem CID 168928377) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole
PubChem CID168928377
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole
SMILESCC(C)CCC1=CN(C(C)(C)C)NC1
InChIInChI=1S/C12H24N2/c1-10(2)6-7-11-8-13-14(9-11)12(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyGWCDZWJVSNDMON-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole?
The IUPAC name of 2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole (CID 168928377) is 2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole.
What is the SMILES notation for 2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole?
The canonical SMILES for 2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole is CC(C)CCC1=CN(C(C)(C)C)NC1.
What is the InChIKey of 2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole?
The InChIKey is GWCDZWJVSNDMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)6-7-11-8-13-14(9-11)12(3,4)5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole?
2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole has a molecular weight of 196.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3-methylbutyl)-1,5-dihydropyrazole is sourced from PubChem (CID 168928377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).