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

C17H19ClN4OS — CID 44521959

IUPAC3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
InChIInChI=1S/C17H19ClN4OS/c1-21(2)9-8-19-16(23)14-10-13-15(20-22(3)17(13)24-14)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,23)
InChIKeyVMNFCLSQNHTBDX-UHFFFAOYSA-N
MW362.89 g/mol
LogP3.25
Rot. Bonds5

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

3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 44521959) has the molecular formula C17H19ClN4OS and a molecular weight of 362.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID44521959
Molecular FormulaC17H19ClN4OS
Molecular Weight362.89 g/mol
Exact Mass362.10
IUPAC Name3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
InChIInChI=1S/C17H19ClN4OS/c1-21(2)9-8-19-16(23)14-10-13-15(20-22(3)17(13)24-14)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,23)
InChIKeyVMNFCLSQNHTBDX-UHFFFAOYSA-N
XLogP3.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.89
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 44521959) is 3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide is CN(C)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is VMNFCLSQNHTBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4OS/c1-21(2)9-8-19-16(23)14-10-13-15(20-22(3)17(13)24-14)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,23).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 362.89 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 44521959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).