3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide

C15H20ClN3O2S — CID 46105154

IUPAC3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide
SMILESCCCn1nc(-c2ccc(Cl)s2)cc1C(=O)NCCCOC
InChIInChI=1S/C15H20ClN3O2S/c1-3-8-19-12(15(20)17-7-4-9-21-2)10-11(18-19)13-5-6-14(16)22-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,20)
InChIKeyASIXGGSWMAIYIB-UHFFFAOYSA-N
MW341.86 g/mol
LogP3.44
Rot. Bonds8

About 3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide

3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide (PubChem CID 46105154) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide
PubChem CID46105154
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide
SMILESCCCn1nc(-c2ccc(Cl)s2)cc1C(=O)NCCCOC
InChIInChI=1S/C15H20ClN3O2S/c1-3-8-19-12(15(20)17-7-4-9-21-2)10-11(18-19)13-5-6-14(16)22-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,20)
InChIKeyASIXGGSWMAIYIB-UHFFFAOYSA-N
XLogP3.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 53.44
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-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide (CID 46105154) is 3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide is CCCn1nc(-c2ccc(Cl)s2)cc1C(=O)NCCCOC.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide?
The InChIKey is ASIXGGSWMAIYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-3-8-19-12(15(20)17-7-4-9-21-2)10-11(18-19)13-5-6-14(16)22-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,20).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide?
3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide has a molecular weight of 341.86 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(3-methoxypropyl)-1-propylpyrazole-5-carboxamide is sourced from PubChem (CID 46105154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).