methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate

C12H16N4O3S — CID 106218962

IUPACmethyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(C)c2cn[nH]c2)c(OC)c1N
InChIInChI=1S/C12H16N4O3S/c1-6(7-4-14-15-5-7)16-11-9(18-2)8(13)10(20-11)12(17)19-3/h4-6,16H,13H2,1-3H3,(H,14,15)
InChIKeyBABWEKHEWKDXJZ-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.02
Rot. Bonds5

About methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate

methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate (PubChem CID 106218962) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate
PubChem CID106218962
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Namemethyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(C)c2cn[nH]c2)c(OC)c1N
InChIInChI=1S/C12H16N4O3S/c1-6(7-4-14-15-5-7)16-11-9(18-2)8(13)10(20-11)12(17)19-3/h4-6,16H,13H2,1-3H3,(H,14,15)
InChIKeyBABWEKHEWKDXJZ-UHFFFAOYSA-N
XLogP2.02
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone
CID 106218937
methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 106218801
1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one
CID 106218908
1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone
CID 103423278
methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate
CID 114159121
ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424037
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate
CID 103506972
1-[3-amino-4-methoxy-5-(pentan-3-ylamino)thiophen-2-yl]ethanone
CID 103424099
3-amino-4-methoxy-N,N-dimethyl-5-(propan-2-ylamino)thiophene-2-carboxamide
CID 103423279
3-methoxy-1-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217181
methyl 5-bromo-4-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]thiophene-2-carboxylate
CID 103854129
ethyl 3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425032

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate (CID 106218962) is methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate is COC(=O)c1sc(NC(C)c2cn[nH]c2)c(OC)c1N.
What is the InChIKey of methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate?
The InChIKey is BABWEKHEWKDXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-6(7-4-14-15-5-7)16-11-9(18-2)8(13)10(20-11)12(17)19-3/h4-6,16H,13H2,1-3H3,(H,14,15).
What are the key properties of methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate?
methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate has a molecular weight of 296.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate is sourced from PubChem (CID 106218962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).