N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide

C31H40ClN5O4 — CID 118332453

IUPACN-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide
SMILESCCOc1ccc(Cl)cc1NC(=O)CC1(CC(=O)Nc2c(CCN(C)C)n(C)n(-c3ccccc3)c2=O)CCCC1
InChIInChI=1S/C31H40ClN5O4/c1-5-41-26-14-13-22(32)19-24(26)33-27(38)20-31(16-9-10-17-31)21-28(39)34-29-25(15-18-35(2)3)36(4)37(30(29)40)23-11-7-6-8-12-23/h6-8,11-14,19H,5,9-10,15-18,20-21H2,1-4H3,(H,33,38)(H,34,39)
InChIKeyZCECJIMAMPUDOK-UHFFFAOYSA-N
MW582.15 g/mol
LogP5.25
Rot. Bonds12

About N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide

N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide (PubChem CID 118332453) has the molecular formula C31H40ClN5O4 and a molecular weight of 582.15 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide
PubChem CID118332453
Molecular FormulaC31H40ClN5O4
Molecular Weight582.15 g/mol
Exact Mass581.28
IUPAC NameN-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide
SMILESCCOc1ccc(Cl)cc1NC(=O)CC1(CC(=O)Nc2c(CCN(C)C)n(C)n(-c3ccccc3)c2=O)CCCC1
InChIInChI=1S/C31H40ClN5O4/c1-5-41-26-14-13-22(32)19-24(26)33-27(38)20-31(16-9-10-17-31)21-28(39)34-29-25(15-18-35(2)3)36(4)37(30(29)40)23-11-7-6-8-12-23/h6-8,11-14,19H,5,9-10,15-18,20-21H2,1-4H3,(H,33,38)(H,34,39)
InChIKeyZCECJIMAMPUDOK-UHFFFAOYSA-N
XLogP5.25
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.15
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide with MolForge

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Related Compounds

6-(5-chloro-2-ethoxyphenyl)-N-[3-[2-(dimethylamino)ethyl]-5-oxo-1-phenyl-2-(trideuteriomethyl)pyrazol-4-yl]-3,3-dimethyl-6-oxohexanamide
CID 160789915
methyl 2-[4-[[4-[(5-chloro-2-ethoxybenzoyl)amino]-3,3-dimethylbutanoyl]amino]-2-methyl-5-oxo-1-phenylpyrazol-3-yl]acetate
CID 118332473
N-[5-(2-amino-2-oxoethyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]-6-(5-chloro-2-ethoxyphenyl)-3,3-dimethyl-6-oxohexanamide
CID 157318056
3-chloro-N-[4-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2,2-dimethyl-4-oxobutyl]-6-ethoxy-4-fluorocyclohexa-1,5-diene-1-carboxamide
CID 144906351
N-(5-chloro-2-methoxyphenyl)-3,3-dimethyl-N'-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)pentanediamide
CID 118332387
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
4-(2,4-dichlorophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
CID 2257918
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 18877711
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide (CID 118332453) is N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide is CCOc1ccc(Cl)cc1NC(=O)CC1(CC(=O)Nc2c(CCN(C)C)n(C)n(-c3ccccc3)c2=O)CCCC1.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide?
The InChIKey is ZCECJIMAMPUDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40ClN5O4/c1-5-41-26-14-13-22(32)19-24(26)33-27(38)20-31(16-9-10-17-31)21-28(39)34-29-25(15-18-35(2)3)36(4)37(30(29)40)23-11-7-6-8-12-23/h6-8,11-14,19H,5,9-10,15-18,20-21H2,1-4H3,(H,33,38)(H,34,39).
What are the key properties of N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide?
N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide has a molecular weight of 582.15 g/mol, XLogP of 5.25, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)-2-[1-[2-[[5-[2-(dimethylamino)ethyl]-1-methyl-3-oxo-2-phenylpyrazol-4-yl]amino]-2-oxoethyl]cyclopentyl]acetamide is sourced from PubChem (CID 118332453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).