2,4-dimethyl-3,4-dihydropyrazole

C5H10N2 — CID 54031007

IUPAC2,4-dimethyl-3,4-dihydropyrazole
SMILESCC1C=NN(C)C1
InChIInChI=1S/C5H10N2/c1-5-3-6-7(2)4-5/h3,5H,4H2,1-2H3
InChIKeyLFPALJMPCHVPCQ-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.55
Rot. Bonds

About 2,4-dimethyl-3,4-dihydropyrazole

2,4-dimethyl-3,4-dihydropyrazole (PubChem CID 54031007) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2,4-dimethyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,4-dimethyl-3,4-dihydropyrazole
PubChem CID54031007
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2,4-dimethyl-3,4-dihydropyrazole
SMILESCC1C=NN(C)C1
InChIInChI=1S/C5H10N2/c1-5-3-6-7(2)4-5/h3,5H,4H2,1-2H3
InChIKeyLFPALJMPCHVPCQ-UHFFFAOYSA-N
XLogP0.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,4-dihydropyrazole?
The IUPAC name of 2,4-dimethyl-3,4-dihydropyrazole (CID 54031007) is 2,4-dimethyl-3,4-dihydropyrazole.
What is the SMILES notation for 2,4-dimethyl-3,4-dihydropyrazole?
The canonical SMILES for 2,4-dimethyl-3,4-dihydropyrazole is CC1C=NN(C)C1.
What is the InChIKey of 2,4-dimethyl-3,4-dihydropyrazole?
The InChIKey is LFPALJMPCHVPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-5-3-6-7(2)4-5/h3,5H,4H2,1-2H3.
What are the key properties of 2,4-dimethyl-3,4-dihydropyrazole?
2,4-dimethyl-3,4-dihydropyrazole has a molecular weight of 98.15 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3,4-dihydropyrazole is sourced from PubChem (CID 54031007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).