(5S)-2,3,5-trimethyl-1,5-dihydropyrazole

C6H12N2 — CID 143502038

IUPAC(5S)-2,3,5-trimethyl-1,5-dihydropyrazole
SMILESCC1=C[C@H](C)NN1C
InChIInChI=1S/C6H12N2/c1-5-4-6(2)8(3)7-5/h4-5,7H,1-3H3/t5-/m0/s1
InChIKeyBQQMVBLXRSYQLL-YFKPBYRVSA-N
MW112.18 g/mol
LogP0.73
Rot. Bonds

About (5S)-2,3,5-trimethyl-1,5-dihydropyrazole

(5S)-2,3,5-trimethyl-1,5-dihydropyrazole (PubChem CID 143502038) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (5S)-2,3,5-trimethyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name(5S)-2,3,5-trimethyl-1,5-dihydropyrazole
PubChem CID143502038
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(5S)-2,3,5-trimethyl-1,5-dihydropyrazole
SMILESCC1=C[C@H](C)NN1C
InChIInChI=1S/C6H12N2/c1-5-4-6(2)8(3)7-5/h4-5,7H,1-3H3/t5-/m0/s1
InChIKeyBQQMVBLXRSYQLL-YFKPBYRVSA-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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Related Compounds

Pyrazole, dihydro-3,5-dimethyl-
CID 4867585
1,3-Dimethyl-pyrazoline
CID 15871873
1,3-Dimethyl-1,2,3,6-tetrahydropyridazine
CID 143979789
2,5-Dimethyl-3-(trifluoromethyl)-1,5-dihydropyrazole
CID 89932272
3,5-Bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole
CID 135267363
2,3-Dimethyl-5-(trifluoromethyl)-1,5-dihydropyrazole
CID 147728329
3-Methyl-1-vinyl-2,3-dihydro-1h-pyrazole
CID 129741426
2,3-dimethyl-5,6-dihydro-1H-pyridazine
CID 138982162
2,6-dimethyl-3,4-dihydro-1H-pyridazine
CID 138982319
1,6-Dimethyl-1,2,3,6-tetrahydropyridazine
CID 167530640
2,5-Dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole
CID 162544160
2,3,4,5-Tetramethyl-1,5-dihydropyrazole
CID 18716064

Frequently Asked Questions

What is the IUPAC name of (5S)-2,3,5-trimethyl-1,5-dihydropyrazole?
The IUPAC name of (5S)-2,3,5-trimethyl-1,5-dihydropyrazole (CID 143502038) is (5S)-2,3,5-trimethyl-1,5-dihydropyrazole.
What is the SMILES notation for (5S)-2,3,5-trimethyl-1,5-dihydropyrazole?
The canonical SMILES for (5S)-2,3,5-trimethyl-1,5-dihydropyrazole is CC1=C[C@H](C)NN1C.
What is the InChIKey of (5S)-2,3,5-trimethyl-1,5-dihydropyrazole?
The InChIKey is BQQMVBLXRSYQLL-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-4-6(2)8(3)7-5/h4-5,7H,1-3H3/t5-/m0/s1.
What are the key properties of (5S)-2,3,5-trimethyl-1,5-dihydropyrazole?
(5S)-2,3,5-trimethyl-1,5-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 (5S)-2,3,5-trimethyl-1,5-dihydropyrazole is sourced from PubChem (CID 143502038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).