methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C14H15N3O3S — CID 42110483

IUPACmethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccnn2C)sc2c1CCC2
InChIInChI=1S/C14H15N3O3S/c1-17-9(6-7-15-17)12(18)16-13-11(14(19)20-2)8-4-3-5-10(8)21-13/h6-7H,3-5H2,1-2H3,(H,16,18)
InChIKeyGZTHLESUBBUVCM-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 42110483) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID42110483
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Namemethyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccnn2C)sc2c1CCC2
InChIInChI=1S/C14H15N3O3S/c1-17-9(6-7-15-17)12(18)16-13-11(14(19)20-2)8-4-3-5-10(8)21-13/h6-7H,3-5H2,1-2H3,(H,16,18)
InChIKeyGZTHLESUBBUVCM-UHFFFAOYSA-N
XLogP2.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 42110483) is methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccnn2C)sc2c1CCC2.
What is the InChIKey of methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is GZTHLESUBBUVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-17-9(6-7-15-17)12(18)16-13-11(14(19)20-2)8-4-3-5-10(8)21-13/h6-7H,3-5H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 42110483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).