5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole

C9H18N2 — CID 72581774

IUPAC5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole
SMILESCC1C=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
InChIKeyYTEIIUZCPKHHAA-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.75
Rot. Bonds

About 5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole

5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole (PubChem CID 72581774) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole
PubChem CID72581774
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole
SMILESCC1C=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
InChIKeyYTEIIUZCPKHHAA-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole?
The IUPAC name of 5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole (CID 72581774) is 5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole.
What is the SMILES notation for 5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole?
The canonical SMILES for 5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole is CC1C=C(C(C)(C)C)NN1C.
What is the InChIKey of 5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole?
The InChIKey is YTEIIUZCPKHHAA-UHFFFAOYSA-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.
What are the key properties of 5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole?
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 5-tert-butyl-2,3-dimethyl-1,3-dihydropyrazole is sourced from PubChem (CID 72581774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).