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

C7H14N2 — CID 573817

IUPAC5-methyl-2-propan-2-yl-3,4-dihydropyrazole
SMILESCC1=NN(C(C)C)CC1
InChIInChI=1S/C7H14N2/c1-6(2)9-5-4-7(3)8-9/h6H,4-5H2,1-3H3
InChIKeyCKWZASMUQGBSSE-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.48
Rot. Bonds1

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

5-methyl-2-propan-2-yl-3,4-dihydropyrazole (PubChem CID 573817) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-3,4-dihydropyrazole
PubChem CID573817
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name5-methyl-2-propan-2-yl-3,4-dihydropyrazole
SMILESCC1=NN(C(C)C)CC1
InChIInChI=1S/C7H14N2/c1-6(2)9-5-4-7(3)8-9/h6H,4-5H2,1-3H3
InChIKeyCKWZASMUQGBSSE-UHFFFAOYSA-N
XLogP1.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 5-methyl-2-propan-2-yl-3,4-dihydropyrazole?
The IUPAC name of 5-methyl-2-propan-2-yl-3,4-dihydropyrazole (CID 573817) is 5-methyl-2-propan-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 5-methyl-2-propan-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 5-methyl-2-propan-2-yl-3,4-dihydropyrazole is CC1=NN(C(C)C)CC1.
What is the InChIKey of 5-methyl-2-propan-2-yl-3,4-dihydropyrazole?
The InChIKey is CKWZASMUQGBSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)9-5-4-7(3)8-9/h6H,4-5H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-3,4-dihydropyrazole?
5-methyl-2-propan-2-yl-3,4-dihydropyrazole has a molecular weight of 126.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 573817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).