3,4-dimethyl-4H-pyrazole

C5H8N2 — CID 20718503

IUPAC3,4-dimethyl-4H-pyrazole
SMILESCC1=NN=CC1C
InChIInChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3-4H,1-2H3
InChIKeyPOTDAVQTNXRHSF-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.08
Rot. Bonds

About 3,4-dimethyl-4H-pyrazole

3,4-dimethyl-4H-pyrazole (PubChem CID 20718503) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 3,4-dimethyl-4H-pyrazole.

Molecular Properties

Compound Name3,4-dimethyl-4H-pyrazole
PubChem CID20718503
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name3,4-dimethyl-4H-pyrazole
SMILESCC1=NN=CC1C
InChIInChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3-4H,1-2H3
InChIKeyPOTDAVQTNXRHSF-UHFFFAOYSA-N
XLogP1.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4H-pyrazole?
The IUPAC name of 3,4-dimethyl-4H-pyrazole (CID 20718503) is 3,4-dimethyl-4H-pyrazole.
What is the SMILES notation for 3,4-dimethyl-4H-pyrazole?
The canonical SMILES for 3,4-dimethyl-4H-pyrazole is CC1=NN=CC1C.
What is the InChIKey of 3,4-dimethyl-4H-pyrazole?
The InChIKey is POTDAVQTNXRHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3-4H,1-2H3.
What are the key properties of 3,4-dimethyl-4H-pyrazole?
3,4-dimethyl-4H-pyrazole has a molecular weight of 96.13 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4H-pyrazole is sourced from PubChem (CID 20718503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).