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

C6H12N2 — CID 566122

IUPAC3,4,5-trimethyl-4,5-dihydro-1H-pyrazole
SMILESCC1=NNC(C)C1C
InChIInChI=1S/C6H12N2/c1-4-5(2)7-8-6(4)3/h4-5,7H,1-3H3
InChIKeyNBUOBRBXCTZHFM-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.99
Rot. Bonds

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

3,4,5-trimethyl-4,5-dihydro-1H-pyrazole (PubChem CID 566122) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3,4,5-trimethyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3,4,5-trimethyl-4,5-dihydro-1H-pyrazole
PubChem CID566122
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3,4,5-trimethyl-4,5-dihydro-1H-pyrazole
SMILESCC1=NNC(C)C1C
InChIInChI=1S/C6H12N2/c1-4-5(2)7-8-6(4)3/h4-5,7H,1-3H3
InChIKeyNBUOBRBXCTZHFM-UHFFFAOYSA-N
XLogP0.99
TPSA24.39 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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrazole, 3-ethyl-4,5-dihydro-
CID 558149
5-(propan-2-yl)-4,5-dihydro-1H-pyrazole
CID 58473803
1H-Pyrazole, 4,5-dihydro-4,5-dimethyl-
CID 558148
cis-3.5-Dimethylpyrazolin
CID 12066842
3,4-Dimethyl-az-pyrazoline
CID 13063590
4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole
CID 138509494
3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine
CID 178039731
3-Ethyl-4-methyl-4,5-dihydro-1H-pyrazole
CID 13063591
5-Ethyl-4-methyl-4,5-dihydro-1h-pyrazole
CID 12334532
2-Pyrazoline, 3-ethyl-5-methyl
CID 91751205
3,4,5-Trimethyl-2-pyrazolinium iodide
CID 129780511
2,3,4,5-Tetramethyl-1,5-dihydropyrazol-2-ium-4-ide;yttrium
CID 57564196

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3,4,5-trimethyl-4,5-dihydro-1H-pyrazole (CID 566122) is 3,4,5-trimethyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3,4,5-trimethyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3,4,5-trimethyl-4,5-dihydro-1H-pyrazole is CC1=NNC(C)C1C.
What is the InChIKey of 3,4,5-trimethyl-4,5-dihydro-1H-pyrazole?
The InChIKey is NBUOBRBXCTZHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-5(2)7-8-6(4)3/h4-5,7H,1-3H3.
What are the key properties of 3,4,5-trimethyl-4,5-dihydro-1H-pyrazole?
3,4,5-trimethyl-4,5-dihydro-1H-pyrazole has a molecular weight of 112.18 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 566122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).