2-cyclobutyl-1,5-dihydropyrazole

C7H12N2 — CID 141393853

IUPAC2-cyclobutyl-1,5-dihydropyrazole
SMILESC1=CN(C2CCC2)NC1
InChIInChI=1S/C7H12N2/c1-3-7(4-1)9-6-2-5-8-9/h2,6-8H,1,3-5H2
InChIKeyQIWAYGKYBQXHRA-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.87
Rot. Bonds1

About 2-cyclobutyl-1,5-dihydropyrazole

2-cyclobutyl-1,5-dihydropyrazole (PubChem CID 141393853) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-cyclobutyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-cyclobutyl-1,5-dihydropyrazole
PubChem CID141393853
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-cyclobutyl-1,5-dihydropyrazole
SMILESC1=CN(C2CCC2)NC1
InChIInChI=1S/C7H12N2/c1-3-7(4-1)9-6-2-5-8-9/h2,6-8H,1,3-5H2
InChIKeyQIWAYGKYBQXHRA-UHFFFAOYSA-N
XLogP0.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70524739
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1-cyclobutylpyrrole
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2-oxido-1,5-dihydropyrazole
CID 141028013
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(7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene
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CID 173070940
(3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol
CID 122237052
7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane
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CID 13291860

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1,5-dihydropyrazole?
The IUPAC name of 2-cyclobutyl-1,5-dihydropyrazole (CID 141393853) is 2-cyclobutyl-1,5-dihydropyrazole.
What is the SMILES notation for 2-cyclobutyl-1,5-dihydropyrazole?
The canonical SMILES for 2-cyclobutyl-1,5-dihydropyrazole is C1=CN(C2CCC2)NC1.
What is the InChIKey of 2-cyclobutyl-1,5-dihydropyrazole?
The InChIKey is QIWAYGKYBQXHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7(4-1)9-6-2-5-8-9/h2,6-8H,1,3-5H2.
What are the key properties of 2-cyclobutyl-1,5-dihydropyrazole?
2-cyclobutyl-1,5-dihydropyrazole has a molecular weight of 124.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1,5-dihydropyrazole is sourced from PubChem (CID 141393853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).