methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate

C16H15N3O5S — CID 3762041

IUPACmethyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cc(NC(=O)c3cscc3OC)cn2)o1
InChIInChI=1S/C16H15N3O5S/c1-22-14-9-25-8-12(14)15(20)18-10-5-17-19(6-10)7-11-3-4-13(24-11)16(21)23-2/h3-6,8-9H,7H2,1-2H3,(H,18,20)
InChIKeyFEPJGCFCSJMMJB-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.63
Rot. Bonds6

About methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate

methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate (PubChem CID 3762041) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
PubChem CID3762041
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Namemethyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cc(NC(=O)c3cscc3OC)cn2)o1
InChIInChI=1S/C16H15N3O5S/c1-22-14-9-25-8-12(14)15(20)18-10-5-17-19(6-10)7-11-3-4-13(24-11)16(21)23-2/h3-6,8-9H,7H2,1-2H3,(H,18,20)
InChIKeyFEPJGCFCSJMMJB-UHFFFAOYSA-N
XLogP2.63
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[4-[(2-chloro-3,4-dimethoxybenzoyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3422017
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide
CID 5151080
methyl 5-[[4-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3418416
methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3418415
methyl 5-[[4-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3418419
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228
methyl 5-[[4-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 74225855
methyl 5-[[4-(2-benzylsulfanylpropanoylamino)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3316572
methyl 2-[[4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402207
dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate
CID 3848159
methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate
CID 43777055
methyl 2-[[4-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402390

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate (CID 3762041) is methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(Cn2cc(NC(=O)c3cscc3OC)cn2)o1.
What is the InChIKey of methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate?
The InChIKey is FEPJGCFCSJMMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-22-14-9-25-8-12(14)15(20)18-10-5-17-19(6-10)7-11-3-4-13(24-11)16(21)23-2/h3-6,8-9H,7H2,1-2H3,(H,18,20).
What are the key properties of methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate has a molecular weight of 361.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 3762041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).