2,3,5-trimethyl-1,3-dihydropyrazole

C6H12N2 — CID 90911966

IUPAC2,3,5-trimethyl-1,3-dihydropyrazole
SMILESCC1=CC(C)N(C)N1
InChIInChI=1S/C6H12N2/c1-5-4-6(2)8(3)7-5/h4,6-7H,1-3H3
InChIKeyGMGQSVLXMQDSNJ-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.73
Rot. Bonds

About 2,3,5-trimethyl-1,3-dihydropyrazole

2,3,5-trimethyl-1,3-dihydropyrazole (PubChem CID 90911966) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2,3,5-trimethyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name2,3,5-trimethyl-1,3-dihydropyrazole
PubChem CID90911966
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2,3,5-trimethyl-1,3-dihydropyrazole
SMILESCC1=CC(C)N(C)N1
InChIInChI=1S/C6H12N2/c1-5-4-6(2)8(3)7-5/h4,6-7H,1-3H3
InChIKeyGMGQSVLXMQDSNJ-UHFFFAOYSA-N
XLogP0.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-1,3-dihydropyrazole?
The IUPAC name of 2,3,5-trimethyl-1,3-dihydropyrazole (CID 90911966) is 2,3,5-trimethyl-1,3-dihydropyrazole.
What is the SMILES notation for 2,3,5-trimethyl-1,3-dihydropyrazole?
The canonical SMILES for 2,3,5-trimethyl-1,3-dihydropyrazole is CC1=CC(C)N(C)N1.
What is the InChIKey of 2,3,5-trimethyl-1,3-dihydropyrazole?
The InChIKey is GMGQSVLXMQDSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-4-6(2)8(3)7-5/h4,6-7H,1-3H3.
What are the key properties of 2,3,5-trimethyl-1,3-dihydropyrazole?
2,3,5-trimethyl-1,3-dihydropyrazole has a molecular weight of 112.18 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1,3-dihydropyrazole is sourced from PubChem (CID 90911966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).