3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C18H20ClN3O2S — CID 5307886

IUPAC3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCOCCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
InChIInChI=1S/C18H20ClN3O2S/c1-3-24-10-4-9-20-17(23)15-11-14-16(21-22(2)18(14)25-15)12-5-7-13(19)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,23)
InChIKeyBLWDBJFTETXIAE-UHFFFAOYSA-N
MW377.90 g/mol
LogP4.11
Rot. Bonds7

About 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 5307886) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID5307886
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCOCCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
InChIInChI=1S/C18H20ClN3O2S/c1-3-24-10-4-9-20-17(23)15-11-14-16(21-22(2)18(14)25-15)12-5-7-13(19)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,23)
InChIKeyBLWDBJFTETXIAE-UHFFFAOYSA-N
XLogP4.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 5307886) is 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is CCOCCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is BLWDBJFTETXIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-3-24-10-4-9-20-17(23)15-11-14-16(21-22(2)18(14)25-15)12-5-7-13(19)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,23).
What are the key properties of 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 377.90 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 5307886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).