methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

C14H17N3O3S — CID 842132

IUPACmethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCn1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cn1
InChIInChI=1S/C14H17N3O3S/c1-5-17-7-10(6-15-17)12(18)16-13-11(14(19)20-4)8(2)9(3)21-13/h6-7H,5H2,1-4H3,(H,16,18)
InChIKeySCGWZOYPLUBPDQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.62
Rot. Bonds4

About methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 842132) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID842132
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Namemethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCn1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cn1
InChIInChI=1S/C14H17N3O3S/c1-5-17-7-10(6-15-17)12(18)16-13-11(14(19)20-4)8(2)9(3)21-13/h6-7H,5H2,1-4H3,(H,16,18)
InChIKeySCGWZOYPLUBPDQ-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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Related Compounds

methyl 4,5-dimethyl-2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}thiophene-3-carboxylate
CID 573359
ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 995662
2-ethyl 4-isopropyl 5-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl]amino}-3-methyl-2,4-thiophenedicarboxylate
CID 1001206
diethyl 5-{[3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acryloyl]amino}-3-methyl-2,4-thiophenedicarboxylate
CID 1001549
ethyl 2-[({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5079883
methyl 2-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 6466787
2-ethyl 4-propyl 5-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl]amino}-3-methyl-2,4-thiophenedicarboxylate
CID 1770002
methyl 2-{[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 841818
Methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 1968518
2-[[(4-Bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
CID 2056595
2-methyl 4-propyl 5-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl]amino}-3-methyl-2,4-thiophenedicarboxylate
CID 6272498
diethyl 5-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl]amino}-3-methyl-2,4-thiophenedicarboxylate
CID 1001189

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 842132) is methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is CCn1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cn1.
What is the InChIKey of methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is SCGWZOYPLUBPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-5-17-7-10(6-15-17)12(18)16-13-11(14(19)20-4)8(2)9(3)21-13/h6-7H,5H2,1-4H3,(H,16,18).
What are the key properties of methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-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 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 842132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).