methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate

C15H17N3O3S — CID 71974042

IUPACmethyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(C2CC2)csc1NC(=O)C(C)n1cccn1
InChIInChI=1S/C15H17N3O3S/c1-9(18-7-3-6-16-18)13(19)17-14-12(15(20)21-2)11(8-22-14)10-4-5-10/h3,6-10H,4-5H2,1-2H3,(H,17,19)
InChIKeyBQGIRGRKFYANSZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.81
Rot. Bonds5

About methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate

methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate (PubChem CID 71974042) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate
PubChem CID71974042
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Namemethyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(C2CC2)csc1NC(=O)C(C)n1cccn1
InChIInChI=1S/C15H17N3O3S/c1-9(18-7-3-6-16-18)13(19)17-14-12(15(20)21-2)11(8-22-14)10-4-5-10/h3,6-10H,4-5H2,1-2H3,(H,17,19)
InChIKeyBQGIRGRKFYANSZ-UHFFFAOYSA-N
XLogP2.81
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate (CID 71974042) is methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate is COC(=O)c1c(C2CC2)csc1NC(=O)C(C)n1cccn1.
What is the InChIKey of methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate?
The InChIKey is BQGIRGRKFYANSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9(18-7-3-6-16-18)13(19)17-14-12(15(20)21-2)11(8-22-14)10-4-5-10/h3,6-10H,4-5H2,1-2H3,(H,17,19).
What are the key properties of methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate?
methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate has a molecular weight of 319.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopropyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 71974042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).