2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide

C17H21ClN4O3S — CID 126825468

IUPAC2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCC1(C)CN(C(=O)Cn2cc(NC(=O)Cc3ccc(Cl)s3)cn2)CCO1
InChIInChI=1S/C17H21ClN4O3S/c1-17(2)11-21(5-6-25-17)16(24)10-22-9-12(8-19-22)20-15(23)7-13-3-4-14(18)26-13/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,20,23)
InChIKeyPDTDEBRBWIINLL-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.42
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide

2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide (PubChem CID 126825468) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide
PubChem CID126825468
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCC1(C)CN(C(=O)Cn2cc(NC(=O)Cc3ccc(Cl)s3)cn2)CCO1
InChIInChI=1S/C17H21ClN4O3S/c1-17(2)11-21(5-6-25-17)16(24)10-22-9-12(8-19-22)20-15(23)7-13-3-4-14(18)26-13/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,20,23)
InChIKeyPDTDEBRBWIINLL-UHFFFAOYSA-N
XLogP2.42
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide (CID 126825468) is 2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide is CC1(C)CN(C(=O)Cn2cc(NC(=O)Cc3ccc(Cl)s3)cn2)CCO1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide?
The InChIKey is PDTDEBRBWIINLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c1-17(2)11-21(5-6-25-17)16(24)10-22-9-12(8-19-22)20-15(23)7-13-3-4-14(18)26-13/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,20,23).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide?
2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 126825468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).