3,3,5-trimethyl-1,2-dihydropyrazole

C6H12N2 — CID 67390885

IUPAC3,3,5-trimethyl-1,2-dihydropyrazole
SMILESCC1=CC(C)(C)NN1
InChIInChI=1S/C6H12N2/c1-5-4-6(2,3)8-7-5/h4,7-8H,1-3H3
InChIKeyBLSSCAQSRSQMGP-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.78
Rot. Bonds

About 3,3,5-trimethyl-1,2-dihydropyrazole

3,3,5-trimethyl-1,2-dihydropyrazole (PubChem CID 67390885) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3,3,5-trimethyl-1,2-dihydropyrazole.

Molecular Properties

Compound Name3,3,5-trimethyl-1,2-dihydropyrazole
PubChem CID67390885
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3,3,5-trimethyl-1,2-dihydropyrazole
SMILESCC1=CC(C)(C)NN1
InChIInChI=1S/C6H12N2/c1-5-4-6(2,3)8-7-5/h4,7-8H,1-3H3
InChIKeyBLSSCAQSRSQMGP-UHFFFAOYSA-N
XLogP0.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1,2-dihydropyrazole?
The IUPAC name of 3,3,5-trimethyl-1,2-dihydropyrazole (CID 67390885) is 3,3,5-trimethyl-1,2-dihydropyrazole.
What is the SMILES notation for 3,3,5-trimethyl-1,2-dihydropyrazole?
The canonical SMILES for 3,3,5-trimethyl-1,2-dihydropyrazole is CC1=CC(C)(C)NN1.
What is the InChIKey of 3,3,5-trimethyl-1,2-dihydropyrazole?
The InChIKey is BLSSCAQSRSQMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-4-6(2,3)8-7-5/h4,7-8H,1-3H3.
What are the key properties of 3,3,5-trimethyl-1,2-dihydropyrazole?
3,3,5-trimethyl-1,2-dihydropyrazole has a molecular weight of 112.18 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1,2-dihydropyrazole is sourced from PubChem (CID 67390885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).