2-methyl-1,3-dihydropyrazole

C4H8N2 — CID 18184270

IUPAC2-methyl-1,3-dihydropyrazole
SMILESCN1CC=CN1
InChIInChI=1S/C4H8N2/c1-6-4-2-3-5-6/h2-3,5H,4H2,1H3
InChIKeyOUODLAJDAIAVTH-UHFFFAOYSA-N
MW84.12 g/mol
LogP-0.05
Rot. Bonds

About 2-methyl-1,3-dihydropyrazole

2-methyl-1,3-dihydropyrazole (PubChem CID 18184270) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 2-methyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-1,3-dihydropyrazole
PubChem CID18184270
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name2-methyl-1,3-dihydropyrazole
SMILESCN1CC=CN1
InChIInChI=1S/C4H8N2/c1-6-4-2-3-5-6/h2-3,5H,4H2,1H3
InChIKeyOUODLAJDAIAVTH-UHFFFAOYSA-N
XLogP-0.05
TPSA15.27 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 ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dihydropyrazole?
The IUPAC name of 2-methyl-1,3-dihydropyrazole (CID 18184270) is 2-methyl-1,3-dihydropyrazole.
What is the SMILES notation for 2-methyl-1,3-dihydropyrazole?
The canonical SMILES for 2-methyl-1,3-dihydropyrazole is CN1CC=CN1.
What is the InChIKey of 2-methyl-1,3-dihydropyrazole?
The InChIKey is OUODLAJDAIAVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-6-4-2-3-5-6/h2-3,5H,4H2,1H3.
What are the key properties of 2-methyl-1,3-dihydropyrazole?
2-methyl-1,3-dihydropyrazole has a molecular weight of 84.12 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dihydropyrazole is sourced from PubChem (CID 18184270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).