2-methyl-3-methylidene-1H-pyrazole

C5H8N2 — CID 123634451

IUPAC2-methyl-3-methylidene-1H-pyrazole
SMILESC=C1C=CNN1C
InChIInChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h3-4,6H,1H2,2H3
InChIKeyLOGMLSMRMUYGFV-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.46
Rot. Bonds

About 2-methyl-3-methylidene-1H-pyrazole

2-methyl-3-methylidene-1H-pyrazole (PubChem CID 123634451) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-methyl-3-methylidene-1H-pyrazole.

Molecular Properties

Compound Name2-methyl-3-methylidene-1H-pyrazole
PubChem CID123634451
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2-methyl-3-methylidene-1H-pyrazole
SMILESC=C1C=CNN1C
InChIInChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h3-4,6H,1H2,2H3
InChIKeyLOGMLSMRMUYGFV-UHFFFAOYSA-N
XLogP0.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidene-1H-pyrazole?
The IUPAC name of 2-methyl-3-methylidene-1H-pyrazole (CID 123634451) is 2-methyl-3-methylidene-1H-pyrazole.
What is the SMILES notation for 2-methyl-3-methylidene-1H-pyrazole?
The canonical SMILES for 2-methyl-3-methylidene-1H-pyrazole is C=C1C=CNN1C.
What is the InChIKey of 2-methyl-3-methylidene-1H-pyrazole?
The InChIKey is LOGMLSMRMUYGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h3-4,6H,1H2,2H3.
What are the key properties of 2-methyl-3-methylidene-1H-pyrazole?
2-methyl-3-methylidene-1H-pyrazole has a molecular weight of 96.13 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-1H-pyrazole is sourced from PubChem (CID 123634451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).