2-methyl-3,4-dihydropyrazole

C4H8N2 — CID 13330488

IUPAC2-methyl-3,4-dihydropyrazole
SMILESCN1CCC=N1
InChIInChI=1S/C4H8N2/c1-6-4-2-3-5-6/h3H,2,4H2,1H3
InChIKeyFNOKJRGVMILSFT-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.31
Rot. Bonds

About 2-methyl-3,4-dihydropyrazole

2-methyl-3,4-dihydropyrazole (PubChem CID 13330488) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 2-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-3,4-dihydropyrazole
PubChem CID13330488
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name2-methyl-3,4-dihydropyrazole
SMILESCN1CCC=N1
InChIInChI=1S/C4H8N2/c1-6-4-2-3-5-6/h3H,2,4H2,1H3
InChIKeyFNOKJRGVMILSFT-UHFFFAOYSA-N
XLogP0.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydropyrazole?
The IUPAC name of 2-methyl-3,4-dihydropyrazole (CID 13330488) is 2-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-methyl-3,4-dihydropyrazole?
The canonical SMILES for 2-methyl-3,4-dihydropyrazole is CN1CCC=N1.
What is the InChIKey of 2-methyl-3,4-dihydropyrazole?
The InChIKey is FNOKJRGVMILSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-6-4-2-3-5-6/h3H,2,4H2,1H3.
What are the key properties of 2-methyl-3,4-dihydropyrazole?
2-methyl-3,4-dihydropyrazole has a molecular weight of 84.12 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 13330488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).