(3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole

C9H18N2 — CID 59864780

IUPAC(3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole
SMILESC[C@H]1C=C(C(C)(C)C)NN1C
InChIInChI=1S/C9H18N2/c1-7-6-8(9(2,3)4)10-11(7)5/h6-7,10H,1-5H3/t7-/m0/s1
InChIKeyYTEIIUZCPKHHAA-ZETCQYMHSA-N
MW154.26 g/mol
LogP1.75
Rot. Bonds

About (3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole

(3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole (PubChem CID 59864780) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name(3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole
PubChem CID59864780
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole
SMILESC[C@H]1C=C(C(C)(C)C)NN1C
InChIInChI=1S/C9H18N2/c1-7-6-8(9(2,3)4)10-11(7)5/h6-7,10H,1-5H3/t7-/m0/s1
InChIKeyYTEIIUZCPKHHAA-ZETCQYMHSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole?
The IUPAC name of (3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole (CID 59864780) is (3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole.
What is the SMILES notation for (3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole?
The canonical SMILES for (3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole is C[C@H]1C=C(C(C)(C)C)NN1C.
What is the InChIKey of (3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole?
The InChIKey is YTEIIUZCPKHHAA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-6-8(9(2,3)4)10-11(7)5/h6-7,10H,1-5H3/t7-/m0/s1.
What are the key properties of (3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole?
(3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole has a molecular weight of 154.26 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole is sourced from PubChem (CID 59864780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).