N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide

C21H22ClN3O3 — CID 55686272

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)c1
InChIInChI=1S/C21H22ClN3O3/c1-14-10-20(25(24-14)18-8-5-7-17(22)12-18)23-21(26)15(2)28-13-16-6-4-9-19(11-16)27-3/h4-12,15H,13H2,1-3H3,(H,23,26)
InChIKeyCFUMJGCWPKNDSC-UHFFFAOYSA-N
MW399.88 g/mol
LogP4.39
Rot. Bonds7

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide (PubChem CID 55686272) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
PubChem CID55686272
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)c1
InChIInChI=1S/C21H22ClN3O3/c1-14-10-20(25(24-14)18-8-5-7-17(22)12-18)23-21(26)15(2)28-13-16-6-4-9-19(11-16)27-3/h4-12,15H,13H2,1-3H3,(H,23,26)
InChIKeyCFUMJGCWPKNDSC-UHFFFAOYSA-N
XLogP4.39
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
CID 55479906
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 55480827
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide
CID 45154155
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
N'-[2-(4-chlorophenyl)acetyl]-2-[(3-methoxyphenyl)methoxy]propanehydrazide
CID 46452966
N-[(2,4-dichlorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 43077370
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55377190
2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 86985434
(2R)-N-[3-(ethylaminomethyl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 124570178
2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110452122
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide (CID 55686272) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide is COc1cccc(COC(C)C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The InChIKey is CFUMJGCWPKNDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-14-10-20(25(24-14)18-8-5-7-17(22)12-18)23-21(26)15(2)28-13-16-6-4-9-19(11-16)27-3/h4-12,15H,13H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide has a molecular weight of 399.88 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide is sourced from PubChem (CID 55686272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).