2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C17H23ClN4O2 — CID 134062826

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(C)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C17H23ClN4O2/c1-10(2)22-16(6-7-19-22)21-17(23)12(4)20-14-8-11(3)13(18)9-15(14)24-5/h6-10,12,20H,1-5H3,(H,21,23)
InChIKeyRABBMDBAMISRDO-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.87
Rot. Bonds6

About 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 134062826) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID134062826
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(C)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C17H23ClN4O2/c1-10(2)22-16(6-7-19-22)21-17(23)12(4)20-14-8-11(3)13(18)9-15(14)24-5/h6-10,12,20H,1-5H3,(H,21,23)
InChIKeyRABBMDBAMISRDO-UHFFFAOYSA-N
XLogP3.87
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42998409
(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2471713
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide
CID 42912800
3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182001
2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide
CID 35970323
2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
CID 18084847
N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42884870
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25344260
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide
CID 41022398
N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide
CID 18133169

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 134062826) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is COc1cc(Cl)c(C)cc1NC(C)C(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is RABBMDBAMISRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-10(2)22-16(6-7-19-22)21-17(23)12(4)20-14-8-11(3)13(18)9-15(14)24-5/h6-10,12,20H,1-5H3,(H,21,23).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 350.85 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 134062826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).