methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate

C11H12N2O2S — CID 68762256

IUPACmethyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2cn[nH]c2C)s1
InChIInChI=1S/C11H12N2O2S/c1-6-4-9(11(14)15-3)16-10(6)8-5-12-13-7(8)2/h4-5H,1-3H3,(H,12,13)
InChIKeyHJPDZCGIKMOARX-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.54
Rot. Bonds2

About methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate

methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate (PubChem CID 68762256) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate
PubChem CID68762256
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Namemethyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2cn[nH]c2C)s1
InChIInChI=1S/C11H12N2O2S/c1-6-4-9(11(14)15-3)16-10(6)8-5-12-13-7(8)2/h4-5H,1-3H3,(H,12,13)
InChIKeyHJPDZCGIKMOARX-UHFFFAOYSA-N
XLogP2.54
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate (CID 68762256) is methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate is COC(=O)c1cc(C)c(-c2cn[nH]c2C)s1.
What is the InChIKey of methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate?
The InChIKey is HJPDZCGIKMOARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-6-4-9(11(14)15-3)16-10(6)8-5-12-13-7(8)2/h4-5H,1-3H3,(H,12,13).
What are the key properties of methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate?
methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate has a molecular weight of 236.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-(5-methyl-1H-pyrazol-4-yl)thiophene-2-carboxylate is sourced from PubChem (CID 68762256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).