ethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate

C14H17N3O3S — CID 747857

IUPACethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccnn2C)sc(C)c1C
InChIInChI=1S/C14H17N3O3S/c1-5-20-14(19)11-8(2)9(3)21-13(11)16-12(18)10-6-7-15-17(10)4/h6-7H,5H2,1-4H3,(H,16,18)
InChIKeyMWJXAQQKHTYNRF-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.53
Rot. Bonds4

About ethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 747857) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID747857
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Nameethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccnn2C)sc(C)c1C
InChIInChI=1S/C14H17N3O3S/c1-5-20-14(19)11-8(2)9(3)21-13(11)16-12(18)10-6-7-15-17(10)4/h6-7H,5H2,1-4H3,(H,16,18)
InChIKeyMWJXAQQKHTYNRF-UHFFFAOYSA-N
XLogP2.53
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate (CID 747857) is ethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccnn2C)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is MWJXAQQKHTYNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-5-20-14(19)11-8(2)9(3)21-13(11)16-12(18)10-6-7-15-17(10)4/h6-7H,5H2,1-4H3,(H,16,18).
What are the key properties of ethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 307.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 747857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).