(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide

C16H19Cl2N3O2 — CID 7421278

IUPAC(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[C@H](C)n1nc(C)c(Cl)c1C
InChIInChI=1S/C16H19Cl2N3O2/c1-9(21-11(3)16(18)10(2)20-21)7-15(22)19-13-8-12(17)5-6-14(13)23-4/h5-6,8-9H,7H2,1-4H3,(H,19,22)/t9-/m0/s1
InChIKeyNCPUTDNOMIAGEV-VIFPVBQESA-N
MW356.25 g/mol
LogP4.41
Rot. Bonds5

About (3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide

(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide (PubChem CID 7421278) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is (3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide
PubChem CID7421278
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[C@H](C)n1nc(C)c(Cl)c1C
InChIInChI=1S/C16H19Cl2N3O2/c1-9(21-11(3)16(18)10(2)20-21)7-15(22)19-13-8-12(17)5-6-14(13)23-4/h5-6,8-9H,7H2,1-4H3,(H,19,22)/t9-/m0/s1
InChIKeyNCPUTDNOMIAGEV-VIFPVBQESA-N
XLogP4.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea
CID 2811436
N'-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 971950
N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129711
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 8721994
1-(5-Chloro-2-methoxyphenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028490
N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide
CID 2746417
1-(5-Chloro-2-methoxyphenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028462
2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 25163660
N-(5-chloro-2-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 711713
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1101547
N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)(4,5,6-trihydrocyclopenta[2,1-d]pyrazolyl)]acetamide
CID 1129757
N-(5-chloro-2-methoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 16008298

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide?
The IUPAC name of (3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide (CID 7421278) is (3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide.
What is the SMILES notation for (3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide?
The canonical SMILES for (3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide is COc1ccc(Cl)cc1NC(=O)C[C@H](C)n1nc(C)c(Cl)c1C.
What is the InChIKey of (3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide?
The InChIKey is NCPUTDNOMIAGEV-VIFPVBQESA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-9(21-11(3)16(18)10(2)20-21)7-15(22)19-13-8-12(17)5-6-14(13)23-4/h5-6,8-9H,7H2,1-4H3,(H,19,22)/t9-/m0/s1.
What are the key properties of (3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide?
(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide has a molecular weight of 356.25 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide is sourced from PubChem (CID 7421278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).