methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate

C14H18N4O2S — CID 103507781

IUPACmethyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NCc2cnn(C)c2)c(C2CC2)c1N
InChIInChI=1S/C14H18N4O2S/c1-18-7-8(6-17-18)5-16-13-10(9-3-4-9)11(15)12(21-13)14(19)20-2/h6-7,9,16H,3-5,15H2,1-2H3
InChIKeyDKKIUNKQQXYTKG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.34
Rot. Bonds5

About methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate

methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate (PubChem CID 103507781) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
PubChem CID103507781
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Namemethyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NCc2cnn(C)c2)c(C2CC2)c1N
InChIInChI=1S/C14H18N4O2S/c1-18-7-8(6-17-18)5-16-13-10(9-3-4-9)11(15)12(21-13)14(19)20-2/h6-7,9,16H,3-5,15H2,1-2H3
InChIKeyDKKIUNKQQXYTKG-UHFFFAOYSA-N
XLogP2.34
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile
CID 103507777
3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507784
3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103507837
3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide
CID 103507826
methyl 3-amino-4-cyclopropyl-5-[3-(dimethylamino)propylamino]thiophene-2-carboxylate
CID 103426194
methyl 5-acetyl-2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 106697343
ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507819
methyl 3-amino-4-cyclopropyl-5-[2-(1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxylate
CID 106413091
methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate
CID 66457699
3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507791
ethyl 5-acetyl-2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 107377556
3-amino-4-ethylsulfonyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile
CID 103507833

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate (CID 103507781) is methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate is COC(=O)c1sc(NCc2cnn(C)c2)c(C2CC2)c1N.
What is the InChIKey of methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate?
The InChIKey is DKKIUNKQQXYTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18-7-8(6-17-18)5-16-13-10(9-3-4-9)11(15)12(21-13)14(19)20-2/h6-7,9,16H,3-5,15H2,1-2H3.
What are the key properties of methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate?
methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate is sourced from PubChem (CID 103507781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).