methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate

C14H17N3O3S — CID 114916137

IUPACmethyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate
SMILESCCn1nc(C)cc1C(=O)Nc1c(C)csc1C(=O)OC
InChIInChI=1S/C14H17N3O3S/c1-5-17-10(6-9(3)16-17)13(18)15-11-8(2)7-21-12(11)14(19)20-4/h6-7H,5H2,1-4H3,(H,15,18)
InChIKeyHDONSBFAXLYRLL-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.62
Rot. Bonds4

About methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate

methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate (PubChem CID 114916137) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate
PubChem CID114916137
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Namemethyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate
SMILESCCn1nc(C)cc1C(=O)Nc1c(C)csc1C(=O)OC
InChIInChI=1S/C14H17N3O3S/c1-5-17-10(6-9(3)16-17)13(18)15-11-8(2)7-21-12(11)14(19)20-4/h6-7H,5H2,1-4H3,(H,15,18)
InChIKeyHDONSBFAXLYRLL-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate (CID 114916137) is methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate is CCn1nc(C)cc1C(=O)Nc1c(C)csc1C(=O)OC.
What is the InChIKey of methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate?
The InChIKey is HDONSBFAXLYRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-5-17-10(6-9(3)16-17)13(18)15-11-8(2)7-21-12(11)14(19)20-4/h6-7H,5H2,1-4H3,(H,15,18).
What are the key properties of methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate?
methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate has a molecular weight of 307.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 114916137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).