2-butyl-3,4-dihydropyrazole

C7H14N2 — CID 19604016

IUPAC2-butyl-3,4-dihydropyrazole
SMILESCCCCN1CCC=N1
InChIInChI=1S/C7H14N2/c1-2-3-6-9-7-4-5-8-9/h5H,2-4,6-7H2,1H3
InChIKeyZCLPYSHSNQYKDF-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.48
Rot. Bonds3

About 2-butyl-3,4-dihydropyrazole

2-butyl-3,4-dihydropyrazole (PubChem CID 19604016) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-butyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-butyl-3,4-dihydropyrazole
PubChem CID19604016
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-butyl-3,4-dihydropyrazole
SMILESCCCCN1CCC=N1
InChIInChI=1S/C7H14N2/c1-2-3-6-9-7-4-5-8-9/h5H,2-4,6-7H2,1H3
InChIKeyZCLPYSHSNQYKDF-UHFFFAOYSA-N
XLogP1.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,4-dihydropyrazole?
The IUPAC name of 2-butyl-3,4-dihydropyrazole (CID 19604016) is 2-butyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-butyl-3,4-dihydropyrazole?
The canonical SMILES for 2-butyl-3,4-dihydropyrazole is CCCCN1CCC=N1.
What is the InChIKey of 2-butyl-3,4-dihydropyrazole?
The InChIKey is ZCLPYSHSNQYKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-3-6-9-7-4-5-8-9/h5H,2-4,6-7H2,1H3.
What are the key properties of 2-butyl-3,4-dihydropyrazole?
2-butyl-3,4-dihydropyrazole has a molecular weight of 126.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,4-dihydropyrazole is sourced from PubChem (CID 19604016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).