(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide

C25H25N3O2 — CID 16575327

IUPAC(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3c(C)nn(-c4ccccc4)c3C)ccc2c1
InChIInChI=1S/C25H25N3O2/c1-16(19-10-11-21-15-23(30-4)13-12-20(21)14-19)25(29)26-24-17(2)27-28(18(24)3)22-8-6-5-7-9-22/h5-16H,1-4H3,(H,26,29)/t16-/m0/s1
InChIKeyACYXOMZIFBYMKQ-INIZCTEOSA-N
MW399.49 g/mol
LogP5.39
Rot. Bonds5

About (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 16575327) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID16575327
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3c(C)nn(-c4ccccc4)c3C)ccc2c1
InChIInChI=1S/C25H25N3O2/c1-16(19-10-11-21-15-23(30-4)13-12-20(21)14-19)25(29)26-24-17(2)27-28(18(24)3)22-8-6-5-7-9-22/h5-16H,1-4H3,(H,26,29)/t16-/m0/s1
InChIKeyACYXOMZIFBYMKQ-INIZCTEOSA-N
XLogP5.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 95247392
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 47002122
N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide
CID 33145427
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 176908756
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41105576
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,4,5-trimethoxybenzamide
CID 51275514
(2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 47066845
(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 17434958

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide (CID 16575327) is (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc([C@H](C)C(=O)Nc3c(C)nn(-c4ccccc4)c3C)ccc2c1.
What is the InChIKey of (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is ACYXOMZIFBYMKQ-INIZCTEOSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16(19-10-11-21-15-23(30-4)13-12-20(21)14-19)25(29)26-24-17(2)27-28(18(24)3)22-8-6-5-7-9-22/h5-16H,1-4H3,(H,26,29)/t16-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 399.49 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 16575327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).