(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H23ClN4O3 — CID 35960340

IUPAC(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1cc(OC)c(N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1Cl
InChIInChI=1S/C17H23ClN4O3/c1-9-16(11(3)22(4)21-9)20-17(23)10(2)19-13-7-12(18)14(24-5)8-15(13)25-6/h7-8,10,19H,1-6H3,(H,20,23)/t10-/m1/s1
InChIKeyYKNOJDUDRHEPTD-SNVBAGLBSA-N
MW366.85 g/mol
LogP3.15
Rot. Bonds6

About (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 35960340) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID35960340
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1cc(OC)c(N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1Cl
InChIInChI=1S/C17H23ClN4O3/c1-9-16(11(3)22(4)21-9)20-17(23)10(2)19-13-7-12(18)14(24-5)8-15(13)25-6/h7-8,10,19H,1-6H3,(H,20,23)/t10-/m1/s1
InChIKeyYKNOJDUDRHEPTD-SNVBAGLBSA-N
XLogP3.15
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 7831164
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 35960377
2-(4-methyl-2-propoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 87024401
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2,4,5-trimethoxybenzoate
CID 8650363
(2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 35960485
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 8938966
2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
CID 43088875
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 8008354
2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 4787331
(3R)-1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 39911369

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 35960340) is (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1cc(OC)c(N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1Cl.
What is the InChIKey of (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is YKNOJDUDRHEPTD-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H23ClN4O3/c1-9-16(11(3)22(4)21-9)20-17(23)10(2)19-13-7-12(18)14(24-5)8-15(13)25-6/h7-8,10,19H,1-6H3,(H,20,23)/t10-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 366.85 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 35960340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).