2-propan-2-yl-1,5-dihydropyrazole

C6H12N2 — CID 20597154

IUPAC2-propan-2-yl-1,5-dihydropyrazole
SMILESCC(C)N1C=CCN1
InChIInChI=1S/C6H12N2/c1-6(2)8-5-3-4-7-8/h3,5-7H,4H2,1-2H3
InChIKeyLGJSYWSRKCHPMP-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.73
Rot. Bonds1

About 2-propan-2-yl-1,5-dihydropyrazole

2-propan-2-yl-1,5-dihydropyrazole (PubChem CID 20597154) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-propan-2-yl-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-propan-2-yl-1,5-dihydropyrazole
PubChem CID20597154
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-propan-2-yl-1,5-dihydropyrazole
SMILESCC(C)N1C=CCN1
InChIInChI=1S/C6H12N2/c1-6(2)8-5-3-4-7-8/h3,5-7H,4H2,1-2H3
InChIKeyLGJSYWSRKCHPMP-UHFFFAOYSA-N
XLogP0.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,5-dihydropyrazole?
The IUPAC name of 2-propan-2-yl-1,5-dihydropyrazole (CID 20597154) is 2-propan-2-yl-1,5-dihydropyrazole.
What is the SMILES notation for 2-propan-2-yl-1,5-dihydropyrazole?
The canonical SMILES for 2-propan-2-yl-1,5-dihydropyrazole is CC(C)N1C=CCN1.
What is the InChIKey of 2-propan-2-yl-1,5-dihydropyrazole?
The InChIKey is LGJSYWSRKCHPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(2)8-5-3-4-7-8/h3,5-7H,4H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,5-dihydropyrazole?
2-propan-2-yl-1,5-dihydropyrazole has a molecular weight of 112.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,5-dihydropyrazole is sourced from PubChem (CID 20597154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).