(4S)-2,4,5-trimethyl-3,4-dihydropyrazole

C6H12N2 — CID 144949916

IUPAC(4S)-2,4,5-trimethyl-3,4-dihydropyrazole
SMILESCC1=NN(C)C[C@@H]1C
InChIInChI=1S/C6H12N2/c1-5-4-8(3)7-6(5)2/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyUWCOGVAFZZBWAT-YFKPBYRVSA-N
MW112.18 g/mol
LogP0.94
Rot. Bonds

About (4S)-2,4,5-trimethyl-3,4-dihydropyrazole

(4S)-2,4,5-trimethyl-3,4-dihydropyrazole (PubChem CID 144949916) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (4S)-2,4,5-trimethyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(4S)-2,4,5-trimethyl-3,4-dihydropyrazole
PubChem CID144949916
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(4S)-2,4,5-trimethyl-3,4-dihydropyrazole
SMILESCC1=NN(C)C[C@@H]1C
InChIInChI=1S/C6H12N2/c1-5-4-8(3)7-6(5)2/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyUWCOGVAFZZBWAT-YFKPBYRVSA-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 (4S)-2,4,5-trimethyl-3,4-dihydropyrazole?
The IUPAC name of (4S)-2,4,5-trimethyl-3,4-dihydropyrazole (CID 144949916) is (4S)-2,4,5-trimethyl-3,4-dihydropyrazole.
What is the SMILES notation for (4S)-2,4,5-trimethyl-3,4-dihydropyrazole?
The canonical SMILES for (4S)-2,4,5-trimethyl-3,4-dihydropyrazole is CC1=NN(C)C[C@@H]1C.
What is the InChIKey of (4S)-2,4,5-trimethyl-3,4-dihydropyrazole?
The InChIKey is UWCOGVAFZZBWAT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-4-8(3)7-6(5)2/h5H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (4S)-2,4,5-trimethyl-3,4-dihydropyrazole?
(4S)-2,4,5-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 (4S)-2,4,5-trimethyl-3,4-dihydropyrazole is sourced from PubChem (CID 144949916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).