(1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol

C12H16N2OS — CID 39095915

IUPAC(1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol
SMILESCC(C)(C)n1cc(CO)c(-c2cccs2)n1
InChIInChI=1S/C12H16N2OS/c1-12(2,3)14-7-9(8-15)11(13-14)10-5-4-6-16-10/h4-7,15H,8H2,1-3H3
InChIKeyONCOZWJSVDPJKI-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.86
Rot. Bonds2

About (1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol

(1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol (PubChem CID 39095915) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol
PubChem CID39095915
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol
SMILESCC(C)(C)n1cc(CO)c(-c2cccs2)n1
InChIInChI=1S/C12H16N2OS/c1-12(2,3)14-7-9(8-15)11(13-14)10-5-4-6-16-10/h4-7,15H,8H2,1-3H3
InChIKeyONCOZWJSVDPJKI-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
CID 740214
(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)(2-thienyl)methanol
CID 16190164
2-[{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}(2-thienylmethyl)amino]ethanol
CID 16190655
1-methyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid
CID 42281966
2-[Benzyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-thiophen-2-ylethanol
CID 75425683
(3-(4-(Methylthio)phenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 3300100
3-[(1-Methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-ol
CID 137991504
[[2-(4-Methylpentan-2-yl)thiophen-3-yl]amino]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 124010713
1-(4-Fluorophenyl)-2-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol
CID 109937083
1-(2,6-Difluorophenyl)-2-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol
CID 109937148
[2-Fluoro-5-[[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 109937210
2-(4-Fluorophenyl)-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 109937217

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
The IUPAC name of (1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol (CID 39095915) is (1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
The canonical SMILES for (1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol is CC(C)(C)n1cc(CO)c(-c2cccs2)n1.
What is the InChIKey of (1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
The InChIKey is ONCOZWJSVDPJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-12(2,3)14-7-9(8-15)11(13-14)10-5-4-6-16-10/h4-7,15H,8H2,1-3H3.
What are the key properties of (1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
(1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol has a molecular weight of 236.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 39095915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).