5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole

C9H16N2 — CID 147453175

IUPAC5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole
SMILESCC1=CC(C2CCC2)NN1C
InChIInChI=1S/C9H16N2/c1-7-6-9(10-11(7)2)8-4-3-5-8/h6,8-10H,3-5H2,1-2H3
InChIKeyDYLPPPDHPXKGTM-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.51
Rot. Bonds1

About 5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole

5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole (PubChem CID 147453175) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole
PubChem CID147453175
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole
SMILESCC1=CC(C2CCC2)NN1C
InChIInChI=1S/C9H16N2/c1-7-6-9(10-11(7)2)8-4-3-5-8/h6,8-10H,3-5H2,1-2H3
InChIKeyDYLPPPDHPXKGTM-UHFFFAOYSA-N
XLogP1.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole?
The IUPAC name of 5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole (CID 147453175) is 5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole.
What is the SMILES notation for 5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole?
The canonical SMILES for 5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole is CC1=CC(C2CCC2)NN1C.
What is the InChIKey of 5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole?
The InChIKey is DYLPPPDHPXKGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-6-9(10-11(7)2)8-4-3-5-8/h6,8-10H,3-5H2,1-2H3.
What are the key properties of 5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole?
5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole has a molecular weight of 152.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole is sourced from PubChem (CID 147453175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).