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

C6H13ClN2 — CID 159952090

IUPAC3,3,5-trimethyl-1,2-dihydropyrazole;hydrochloride
SMILESCC1=CC(C)(C)NN1.Cl
InChIInChI=1S/C6H12N2.ClH/c1-5-4-6(2,3)8-7-5;/h4,7-8H,1-3H3;1H
InChIKeyOCGBEMRBMVIGDY-UHFFFAOYSA-N
MW148.64 g/mol
LogP1.20
Rot. Bonds

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

3,3,5-trimethyl-1,2-dihydropyrazole;hydrochloride (PubChem CID 159952090) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is 3,3,5-trimethyl-1,2-dihydropyrazole;hydrochloride.

Molecular Properties

Compound Name3,3,5-trimethyl-1,2-dihydropyrazole;hydrochloride
PubChem CID159952090
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Name3,3,5-trimethyl-1,2-dihydropyrazole;hydrochloride
SMILESCC1=CC(C)(C)NN1.Cl
InChIInChI=1S/C6H12N2.ClH/c1-5-4-6(2,3)8-7-5;/h4,7-8H,1-3H3;1H
InChIKeyOCGBEMRBMVIGDY-UHFFFAOYSA-N
XLogP1.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 51.20
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;hydrochloride?
The IUPAC name of 3,3,5-trimethyl-1,2-dihydropyrazole;hydrochloride (CID 159952090) is 3,3,5-trimethyl-1,2-dihydropyrazole;hydrochloride.
What is the SMILES notation for 3,3,5-trimethyl-1,2-dihydropyrazole;hydrochloride?
The canonical SMILES for 3,3,5-trimethyl-1,2-dihydropyrazole;hydrochloride is CC1=CC(C)(C)NN1.Cl.
What is the InChIKey of 3,3,5-trimethyl-1,2-dihydropyrazole;hydrochloride?
The InChIKey is OCGBEMRBMVIGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c1-5-4-6(2,3)8-7-5;/h4,7-8H,1-3H3;1H.
What are the key properties of 3,3,5-trimethyl-1,2-dihydropyrazole;hydrochloride?
3,3,5-trimethyl-1,2-dihydropyrazole;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 1.20, 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;hydrochloride is sourced from PubChem (CID 159952090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).