4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole

C8H16N2 — CID 580360

IUPAC4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole
SMILESCC1=NN(C(C)C)CC1C
InChIInChI=1S/C8H16N2/c1-6(2)10-5-7(3)8(4)9-10/h6-7H,5H2,1-4H3
InChIKeyFLFFDGXRTTZWSA-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds1

About 4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole

4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole (PubChem CID 580360) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole
PubChem CID580360
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole
SMILESCC1=NN(C(C)C)CC1C
InChIInChI=1S/C8H16N2/c1-6(2)10-5-7(3)8(4)9-10/h6-7H,5H2,1-4H3
InChIKeyFLFFDGXRTTZWSA-UHFFFAOYSA-N
XLogP1.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole?
The IUPAC name of 4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole (CID 580360) is 4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole is CC1=NN(C(C)C)CC1C.
What is the InChIKey of 4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole?
The InChIKey is FLFFDGXRTTZWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)10-5-7(3)8(4)9-10/h6-7H,5H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole?
4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole has a molecular weight of 140.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 580360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).