3,4-dimethyl-4,5-dihydro-1H-pyrazole

C5H10N2 — CID 13063590

IUPAC3,4-dimethyl-4,5-dihydro-1H-pyrazole
SMILESCC1=NNCC1C
InChIInChI=1S/C5H10N2/c1-4-3-6-7-5(4)2/h4,6H,3H2,1-2H3
InChIKeyYVIXPIGYCYZWCY-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.60
Rot. Bonds

About 3,4-dimethyl-4,5-dihydro-1H-pyrazole

3,4-dimethyl-4,5-dihydro-1H-pyrazole (PubChem CID 13063590) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3,4-dimethyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3,4-dimethyl-4,5-dihydro-1H-pyrazole
PubChem CID13063590
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3,4-dimethyl-4,5-dihydro-1H-pyrazole
SMILESCC1=NNCC1C
InChIInChI=1S/C5H10N2/c1-4-3-6-7-5(4)2/h4,6H,3H2,1-2H3
InChIKeyYVIXPIGYCYZWCY-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 3,4-dimethyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3,4-dimethyl-4,5-dihydro-1H-pyrazole (CID 13063590) is 3,4-dimethyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3,4-dimethyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3,4-dimethyl-4,5-dihydro-1H-pyrazole is CC1=NNCC1C.
What is the InChIKey of 3,4-dimethyl-4,5-dihydro-1H-pyrazole?
The InChIKey is YVIXPIGYCYZWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-4-3-6-7-5(4)2/h4,6H,3H2,1-2H3.
What are the key properties of 3,4-dimethyl-4,5-dihydro-1H-pyrazole?
3,4-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 3,4-dimethyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 13063590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).