N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide

C23H27ClN4O3S — CID 66928346

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)CCc2cccs2)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H27ClN4O3S/c1-27-23(20(24)16-25-27)19-15-17(26-22(29)7-5-18-3-2-14-32-18)4-6-21(19)31-13-10-28-8-11-30-12-9-28/h2-4,6,14-16H,5,7-13H2,1H3,(H,26,29)
InChIKeyCOLYKEILUHAGEL-UHFFFAOYSA-N
MW475.01 g/mol
LogP4.08
Rot. Bonds9

About N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide (PubChem CID 66928346) has the molecular formula C23H27ClN4O3S and a molecular weight of 475.01 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide
PubChem CID66928346
Molecular FormulaC23H27ClN4O3S
Molecular Weight475.01 g/mol
Exact Mass474.15
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)CCc2cccs2)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H27ClN4O3S/c1-27-23(20(24)16-25-27)19-15-17(26-22(29)7-5-18-3-2-14-32-18)4-6-21(19)31-13-10-28-8-11-30-12-9-28/h2-4,6,14-16H,5,7-13H2,1H3,(H,26,29)
InChIKeyCOLYKEILUHAGEL-UHFFFAOYSA-N
XLogP4.08
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 66928588
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide
CID 24815559
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(2,6-difluorophenyl)urea
CID 66928601
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
CID 66927790
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 66927767
3-(4-chloro-1-methylpyrazol-5-yl)-N-(3,4-difluorophenyl)-4-(2-morpholin-4-ylethoxy)aniline
CID 66927948
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(1,3-thiazol-2-yl)propanamide
CID 66927902
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(4-chlorophenyl)-2,2-difluoroacetamide
CID 67193233
3-(4-chloro-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(2-morpholin-4-ylethoxy)aniline;3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)aniline;(4-chlorophenyl)boronic acid
CID 159217082
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide
CID 66928354
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(3-hydroxyazetidin-1-yl)ethoxy]phenyl]-3-(4-chlorophenyl)urea
CID 11619867
2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 68850357

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide (CID 66928346) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide is Cn1ncc(Cl)c1-c1cc(NC(=O)CCc2cccs2)ccc1OCCN1CCOCC1.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is COLYKEILUHAGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3S/c1-27-23(20(24)16-25-27)19-15-17(26-22(29)7-5-18-3-2-14-32-18)4-6-21(19)31-13-10-28-8-11-30-12-9-28/h2-4,6,14-16H,5,7-13H2,1H3,(H,26,29).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 475.01 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 66928346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).