(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide

C17H22ClN3O2 — CID 35526261

IUPAC(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](C)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C17H22ClN3O2/c1-10-6-7-15(23-5)14(8-10)19-17(22)11(2)9-21-13(4)16(18)12(3)20-21/h6-8,11H,9H2,1-5H3,(H,19,22)/t11-/m0/s1
InChIKeyLIMGUXYNKNZQDC-NSHDSACASA-N
MW335.84 g/mol
LogP3.75
Rot. Bonds5

About (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide

(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide (PubChem CID 35526261) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
PubChem CID35526261
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](C)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C17H22ClN3O2/c1-10-6-7-15(23-5)14(8-10)19-17(22)11(2)9-21-13(4)16(18)12(3)20-21/h6-8,11H,9H2,1-5H3,(H,19,22)/t11-/m0/s1
InChIKeyLIMGUXYNKNZQDC-NSHDSACASA-N
XLogP3.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 19341366
N-[2-(difluoromethoxy)-5-methylphenyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide
CID 19562258
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)-2-methylpropanamide
CID 19584563
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-chloro-5-nitrophenyl)-2-methylpropanamide
CID 19568568
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19568619
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412394
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 19535692
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 19533348
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19568517
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methylphenyl)-2-methylpropanamide
CID 19564210
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
CID 19562125

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide?
The IUPAC name of (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide (CID 35526261) is (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide?
The canonical SMILES for (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide is COc1ccc(C)cc1NC(=O)[C@@H](C)Cn1nc(C)c(Cl)c1C.
What is the InChIKey of (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide?
The InChIKey is LIMGUXYNKNZQDC-NSHDSACASA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-10-6-7-15(23-5)14(8-10)19-17(22)11(2)9-21-13(4)16(18)12(3)20-21/h6-8,11H,9H2,1-5H3,(H,19,22)/t11-/m0/s1.
What are the key properties of (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide?
(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide has a molecular weight of 335.84 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 35526261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).