2,4-dimethyl-1,3-dihydropyrazole

C5H10N2 — CID 19021585

IUPAC2,4-dimethyl-1,3-dihydropyrazole
SMILESCC1=CNN(C)C1
InChIInChI=1S/C5H10N2/c1-5-3-6-7(2)4-5/h3,6H,4H2,1-2H3
InChIKeyFIBSTBHKZWQUER-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.34
Rot. Bonds

About 2,4-dimethyl-1,3-dihydropyrazole

2,4-dimethyl-1,3-dihydropyrazole (PubChem CID 19021585) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name2,4-dimethyl-1,3-dihydropyrazole
PubChem CID19021585
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2,4-dimethyl-1,3-dihydropyrazole
SMILESCC1=CNN(C)C1
InChIInChI=1S/C5H10N2/c1-5-3-6-7(2)4-5/h3,6H,4H2,1-2H3
InChIKeyFIBSTBHKZWQUER-UHFFFAOYSA-N
XLogP0.34
TPSA15.27 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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-dihydropyrazole?
The IUPAC name of 2,4-dimethyl-1,3-dihydropyrazole (CID 19021585) is 2,4-dimethyl-1,3-dihydropyrazole.
What is the SMILES notation for 2,4-dimethyl-1,3-dihydropyrazole?
The canonical SMILES for 2,4-dimethyl-1,3-dihydropyrazole is CC1=CNN(C)C1.
What is the InChIKey of 2,4-dimethyl-1,3-dihydropyrazole?
The InChIKey is FIBSTBHKZWQUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-5-3-6-7(2)4-5/h3,6H,4H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,3-dihydropyrazole?
2,4-dimethyl-1,3-dihydropyrazole has a molecular weight of 98.15 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-dihydropyrazole is sourced from PubChem (CID 19021585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).