5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole

C14H26N2 — CID 122695042

IUPAC5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole
SMILESCC(C)(C)c1[nH]ncc1C(C)(C)C(C)(C)C
InChIInChI=1S/C14H26N2/c1-12(2,3)11-10(9-15-16-11)14(7,8)13(4,5)6/h9H,1-8H3,(H,15,16)
InChIKeyVABHIOFWZJRYNY-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.03
Rot. Bonds1

About 5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole

5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole (PubChem CID 122695042) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole
PubChem CID122695042
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole
SMILESCC(C)(C)c1[nH]ncc1C(C)(C)C(C)(C)C
InChIInChI=1S/C14H26N2/c1-12(2,3)11-10(9-15-16-11)14(7,8)13(4,5)6/h9H,1-8H3,(H,15,16)
InChIKeyVABHIOFWZJRYNY-UHFFFAOYSA-N
XLogP4.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole
CID 168735209
5-tert-butyl-4-methyl-1H-indazole
CID 134492253
1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine
CID 58477491
5-tert-butyl-4-cyclopropyl-1H-pyrazole
CID 137491744
1-(5-tert-butyl-1H-pyrazol-4-yl)cyclopropan-1-amine
CID 84768010
ethyl 2-amino-3-(5-tert-butyl-1H-pyrazol-4-yl)propanoate
CID 170886041
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 112732597
1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine
CID 105449531
3-(5-tert-butyl-1H-pyrazol-4-yl)benzaldehyde
CID 39222110
1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol
CID 83831395
1,2-ditert-butylbenzene;3,4-ditert-butyloxane;bis(3,4-ditert-butyloxolane);bis(4,5-ditert-butyl-1H-pyrazole)
CID 158272653
(2S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methoxy-2-phenylethanamine
CID 95580794

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole?
The IUPAC name of 5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole (CID 122695042) is 5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole?
The canonical SMILES for 5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole is CC(C)(C)c1[nH]ncc1C(C)(C)C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole?
The InChIKey is VABHIOFWZJRYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-12(2,3)11-10(9-15-16-11)14(7,8)13(4,5)6/h9H,1-8H3,(H,15,16).
What are the key properties of 5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole?
5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole has a molecular weight of 222.38 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole is sourced from PubChem (CID 122695042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).