4,5-dimethyl-4,5-dihydro-1H-pyrazole

C5H10N2 — CID 558148

IUPAC4,5-dimethyl-4,5-dihydro-1H-pyrazole
SMILESCC1C=NNC1C
InChIInChI=1S/C5H10N2/c1-4-3-6-7-5(4)2/h3-5,7H,1-2H3
InChIKeySOAGQMUXRXXXPM-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.60
Rot. Bonds

About 4,5-dimethyl-4,5-dihydro-1H-pyrazole

4,5-dimethyl-4,5-dihydro-1H-pyrazole (PubChem CID 558148) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 4,5-dimethyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name4,5-dimethyl-4,5-dihydro-1H-pyrazole
PubChem CID558148
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name4,5-dimethyl-4,5-dihydro-1H-pyrazole
SMILESCC1C=NNC1C
InChIInChI=1S/C5H10N2/c1-4-3-6-7-5(4)2/h3-5,7H,1-2H3
InChIKeySOAGQMUXRXXXPM-UHFFFAOYSA-N
XLogP0.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 4,5-dimethyl-4,5-dihydro-1H-pyrazole (CID 558148) is 4,5-dimethyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 4,5-dimethyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 4,5-dimethyl-4,5-dihydro-1H-pyrazole is CC1C=NNC1C.
What is the InChIKey of 4,5-dimethyl-4,5-dihydro-1H-pyrazole?
The InChIKey is SOAGQMUXRXXXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-4-3-6-7-5(4)2/h3-5,7H,1-2H3.
What are the key properties of 4,5-dimethyl-4,5-dihydro-1H-pyrazole?
4,5-dimethyl-4,5-dihydro-1H-pyrazole has a molecular weight of 98.15 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 558148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).