2,3,4-trimethyl-3,4-dihydropyrazole

C6H12N2 — CID 566205

IUPAC2,3,4-trimethyl-3,4-dihydropyrazole
SMILESCC1C=NN(C)C1C
InChIInChI=1S/C6H12N2/c1-5-4-7-8(3)6(5)2/h4-6H,1-3H3
InChIKeyQZXPNIFNBFPOML-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.94
Rot. Bonds

About 2,3,4-trimethyl-3,4-dihydropyrazole

2,3,4-trimethyl-3,4-dihydropyrazole (PubChem CID 566205) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2,3,4-trimethyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,3,4-trimethyl-3,4-dihydropyrazole
PubChem CID566205
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2,3,4-trimethyl-3,4-dihydropyrazole
SMILESCC1C=NN(C)C1C
InChIInChI=1S/C6H12N2/c1-5-4-7-8(3)6(5)2/h4-6H,1-3H3
InChIKeyQZXPNIFNBFPOML-UHFFFAOYSA-N
XLogP0.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-3,4-dihydropyrazole?
The IUPAC name of 2,3,4-trimethyl-3,4-dihydropyrazole (CID 566205) is 2,3,4-trimethyl-3,4-dihydropyrazole.
What is the SMILES notation for 2,3,4-trimethyl-3,4-dihydropyrazole?
The canonical SMILES for 2,3,4-trimethyl-3,4-dihydropyrazole is CC1C=NN(C)C1C.
What is the InChIKey of 2,3,4-trimethyl-3,4-dihydropyrazole?
The InChIKey is QZXPNIFNBFPOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-4-7-8(3)6(5)2/h4-6H,1-3H3.
What are the key properties of 2,3,4-trimethyl-3,4-dihydropyrazole?
2,3,4-trimethyl-3,4-dihydropyrazole has a molecular weight of 112.18 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-3,4-dihydropyrazole is sourced from PubChem (CID 566205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).