(3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole

C9H18N2 — CID 91072407

IUPAC(3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole
SMILESC[C@H]1CC(C(C)(C)C)=NN1C
InChIInChI=1S/C9H18N2/c1-7-6-8(9(2,3)4)10-11(7)5/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyJWFUMZMSGMNTFB-ZETCQYMHSA-N
MW154.26 g/mol
LogP2.11
Rot. Bonds

About (3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole

(3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole (PubChem CID 91072407) 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-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole
PubChem CID91072407
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole
SMILESC[C@H]1CC(C(C)(C)C)=NN1C
InChIInChI=1S/C9H18N2/c1-7-6-8(9(2,3)4)10-11(7)5/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyJWFUMZMSGMNTFB-ZETCQYMHSA-N
XLogP2.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole
CID 67953910
2-amino-1-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)ethanone
CID 89129983
5-ethynyl-2,3-dimethyl-3,4-dihydropyrazole
CID 89053259
5-[(Z)-but-1-enyl]-2,3-dimethyl-3,4-dihydropyrazole
CID 155347942
(2S)-N-(2,3-dimethyl-3,4-dihydropyrazol-5-yl)-2-hydroxypropanamide
CID 134126473
2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole
CID 141146250
8-methyl-3-(2,3,4-trimethylpentan-3-yl)-3,8-diazabicyclo[3.2.1]octane
CID 155171561
4-tert-butyl-2,3-dihydroazete
CID 147660331
5-tert-butyl-3,4-dihydropyrrol-2-one
CID 59464002
N-(5-tert-butyl-2-methyl-3,4-dihydropyrazol-3-yl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide
CID 25266737
(2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one
CID 10867300
6-tert-butyl-2,5-dihydropyridine;methane
CID 157395266

Frequently Asked Questions

What is the IUPAC name of (3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole?
The IUPAC name of (3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole (CID 91072407) is (3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole is C[C@H]1CC(C(C)(C)C)=NN1C.
What is the InChIKey of (3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole?
The InChIKey is JWFUMZMSGMNTFB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-6-8(9(2,3)4)10-11(7)5/h7H,6H2,1-5H3/t7-/m0/s1.
What are the key properties of (3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole?
(3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole has a molecular weight of 154.26 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-tert-butyl-2,3-dimethyl-3,4-dihydropyrazole is sourced from PubChem (CID 91072407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).