2-butyl-3-methyl-3,4-dihydropyrazole

C8H16N2 — CID 566251

IUPAC2-butyl-3-methyl-3,4-dihydropyrazole
SMILESCCCCN1N=CCC1C
InChIInChI=1S/C8H16N2/c1-3-4-7-10-8(2)5-6-9-10/h6,8H,3-5,7H2,1-2H3
InChIKeyIPKPLDIJSVOODS-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.87
Rot. Bonds3

About 2-butyl-3-methyl-3,4-dihydropyrazole

2-butyl-3-methyl-3,4-dihydropyrazole (PubChem CID 566251) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-butyl-3-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-butyl-3-methyl-3,4-dihydropyrazole
PubChem CID566251
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-butyl-3-methyl-3,4-dihydropyrazole
SMILESCCCCN1N=CCC1C
InChIInChI=1S/C8H16N2/c1-3-4-7-10-8(2)5-6-9-10/h6,8H,3-5,7H2,1-2H3
InChIKeyIPKPLDIJSVOODS-UHFFFAOYSA-N
XLogP1.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methyl-3,4-dihydropyrazole?
The IUPAC name of 2-butyl-3-methyl-3,4-dihydropyrazole (CID 566251) is 2-butyl-3-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-butyl-3-methyl-3,4-dihydropyrazole?
The canonical SMILES for 2-butyl-3-methyl-3,4-dihydropyrazole is CCCCN1N=CCC1C.
What is the InChIKey of 2-butyl-3-methyl-3,4-dihydropyrazole?
The InChIKey is IPKPLDIJSVOODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-7-10-8(2)5-6-9-10/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 2-butyl-3-methyl-3,4-dihydropyrazole?
2-butyl-3-methyl-3,4-dihydropyrazole has a molecular weight of 140.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 566251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).