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

C4H8N2 — CID 558092

IUPAC3-methyl-4,5-dihydro-1H-pyrazole
SMILESCC1=NNCC1
InChIInChI=1S/C4H8N2/c1-4-2-3-5-6-4/h5H,2-3H2,1H3
InChIKeyMWCHLFKQTXSQJV-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.36
Rot. Bonds

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

3-methyl-4,5-dihydro-1H-pyrazole (PubChem CID 558092) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 3-methyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-methyl-4,5-dihydro-1H-pyrazole
PubChem CID558092
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name3-methyl-4,5-dihydro-1H-pyrazole
SMILESCC1=NNCC1
InChIInChI=1S/C4H8N2/c1-4-2-3-5-6-4/h5H,2-3H2,1H3
InChIKeyMWCHLFKQTXSQJV-UHFFFAOYSA-N
XLogP0.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-methyl-4,5-dihydro-1H-pyrazole (CID 558092) is 3-methyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-methyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-methyl-4,5-dihydro-1H-pyrazole is CC1=NNCC1.
What is the InChIKey of 3-methyl-4,5-dihydro-1H-pyrazole?
The InChIKey is MWCHLFKQTXSQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-4-2-3-5-6-4/h5H,2-3H2,1H3.
What are the key properties of 3-methyl-4,5-dihydro-1H-pyrazole?
3-methyl-4,5-dihydro-1H-pyrazole has a molecular weight of 84.12 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 558092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).