3,3-dimethyl-1,2-dihydropyrazole

C5H10N2 — CID 13329826

IUPAC3,3-dimethyl-1,2-dihydropyrazole
SMILESCC1(C)C=CNN1
InChIInChI=1S/C5H10N2/c1-5(2)3-4-6-7-5/h3-4,6-7H,1-2H3
InChIKeyXGZRBKKGCZKMNK-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.39
Rot. Bonds

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

3,3-dimethyl-1,2-dihydropyrazole (PubChem CID 13329826) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3,3-dimethyl-1,2-dihydropyrazole.

Molecular Properties

Compound Name3,3-dimethyl-1,2-dihydropyrazole
PubChem CID13329826
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3,3-dimethyl-1,2-dihydropyrazole
SMILESCC1(C)C=CNN1
InChIInChI=1S/C5H10N2/c1-5(2)3-4-6-7-5/h3-4,6-7H,1-2H3
InChIKeyXGZRBKKGCZKMNK-UHFFFAOYSA-N
XLogP0.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,2-dihydropyrazole?
The IUPAC name of 3,3-dimethyl-1,2-dihydropyrazole (CID 13329826) is 3,3-dimethyl-1,2-dihydropyrazole.
What is the SMILES notation for 3,3-dimethyl-1,2-dihydropyrazole?
The canonical SMILES for 3,3-dimethyl-1,2-dihydropyrazole is CC1(C)C=CNN1.
What is the InChIKey of 3,3-dimethyl-1,2-dihydropyrazole?
The InChIKey is XGZRBKKGCZKMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-5(2)3-4-6-7-5/h3-4,6-7H,1-2H3.
What are the key properties of 3,3-dimethyl-1,2-dihydropyrazole?
3,3-dimethyl-1,2-dihydropyrazole has a molecular weight of 98.15 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,2-dihydropyrazole is sourced from PubChem (CID 13329826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).