1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole

C12H16N2S — CID 122660577

IUPAC1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole
SMILESCc1cc(-c2cccs2)n(C(C)(C)C)n1
InChIInChI=1S/C12H16N2S/c1-9-8-10(11-6-5-7-15-11)14(13-9)12(2,3)4/h5-8H,1-4H3
InChIKeyDVBSNUXHRURJQM-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.68
Rot. Bonds1

About 1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole

1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole (PubChem CID 122660577) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole
PubChem CID122660577
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole
SMILESCc1cc(-c2cccs2)n(C(C)(C)C)n1
InChIInChI=1S/C12H16N2S/c1-9-8-10(11-6-5-7-15-11)14(13-9)12(2,3)4/h5-8H,1-4H3
InChIKeyDVBSNUXHRURJQM-UHFFFAOYSA-N
XLogP3.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine
CID 82470463
3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole
CID 69087337
5-thiophen-2-yl-1,3-bis(trifluoromethyl)pyrazole
CID 140579512
1-[3-(1-tert-butyl-5-thiophen-2-ylpyrazol-3-yl)propyl]-4-(2,4-dimethylphenyl)piperazine
CID 68557089
1-tert-butyl-3,5-dimethylpyrazole;methane
CID 159275422
(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270412
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole
CID 116856837
2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 19587653
N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076950
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole?
The IUPAC name of 1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole (CID 122660577) is 1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole.
What is the SMILES notation for 1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole?
The canonical SMILES for 1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole is Cc1cc(-c2cccs2)n(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole?
The InChIKey is DVBSNUXHRURJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9-8-10(11-6-5-7-15-11)14(13-9)12(2,3)4/h5-8H,1-4H3.
What are the key properties of 1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole?
1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole has a molecular weight of 220.34 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole is sourced from PubChem (CID 122660577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).