ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate

C19H25N3O3 — CID 124872619

IUPACethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1c(C)nn(C)c1C)c1ccccc1C
InChIInChI=1S/C19H25N3O3/c1-6-25-17(23)11-16(15-10-8-7-9-12(15)2)20-19(24)18-13(3)21-22(5)14(18)4/h7-10,16H,6,11H2,1-5H3,(H,20,24)/t16-/m0/s1
InChIKeyHFTQKCJSFIWVSG-INIZCTEOSA-N
MW343.43 g/mol
LogP2.77
Rot. Bonds6

About ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate

ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate (PubChem CID 124872619) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
PubChem CID124872619
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nameethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1c(C)nn(C)c1C)c1ccccc1C
InChIInChI=1S/C19H25N3O3/c1-6-25-17(23)11-16(15-10-8-7-9-12(15)2)20-19(24)18-13(3)21-22(5)14(18)4/h7-10,16H,6,11H2,1-5H3,(H,20,24)/t16-/m0/s1
InChIKeyHFTQKCJSFIWVSG-INIZCTEOSA-N
XLogP2.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-(2,3-dimethylphenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 125142271
ethyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoate
CID 119818340
1,3,5-trimethyl-N-[(2S)-4-oxo-4-phenylbutan-2-yl]pyrazole-4-carboxamide
CID 97065090
ethyl 3-[(6-bromo-5-methoxypyridine-2-carbonyl)amino]-3-(2-methylphenyl)propanoate
CID 88924989
ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 7045199
1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 124872713
N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 63754459
ethyl 3-[[2-(2-fluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-(2-methylphenyl)propanoate
CID 71257893
ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate
CID 64540717
ethyl 3-(2-methylphenyl)-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate;hydrochloride
CID 120638127
ethyl 3-(2-methylphenyl)-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120638128
methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
CID 75389342

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate?
The IUPAC name of ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate (CID 124872619) is ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate?
The canonical SMILES for ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate is CCOC(=O)C[C@H](NC(=O)c1c(C)nn(C)c1C)c1ccccc1C.
What is the InChIKey of ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate?
The InChIKey is HFTQKCJSFIWVSG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-6-25-17(23)11-16(15-10-8-7-9-12(15)2)20-19(24)18-13(3)21-22(5)14(18)4/h7-10,16H,6,11H2,1-5H3,(H,20,24)/t16-/m0/s1.
What are the key properties of ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate?
ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate has a molecular weight of 343.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-(2-methylphenyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 124872619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).