methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate

C13H15N3O3S — CID 19279648

IUPACmethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C13H15N3O3S/c1-7-5-10(15-16(7)3)11(17)14-12-9(13(18)19-4)6-8(2)20-12/h5-6H,1-4H3,(H,14,17)
InChIKeyRONJPNHZKOJWNP-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.14
Rot. Bonds3

About methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate

methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate (PubChem CID 19279648) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
PubChem CID19279648
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Namemethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C13H15N3O3S/c1-7-5-10(15-16(7)3)11(17)14-12-9(13(18)19-4)6-8(2)20-12/h5-6H,1-4H3,(H,14,17)
InChIKeyRONJPNHZKOJWNP-UHFFFAOYSA-N
XLogP2.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate (CID 19279648) is methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate is COC(=O)c1cc(C)sc1NC(=O)c1cc(C)n(C)n1.
What is the InChIKey of methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The InChIKey is RONJPNHZKOJWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-7-5-10(15-16(7)3)11(17)14-12-9(13(18)19-4)6-8(2)20-12/h5-6H,1-4H3,(H,14,17).
What are the key properties of methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate?
methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate has a molecular weight of 293.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 19279648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).