methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate

C17H21N3O5 — CID 126811745

IUPACmethyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cnn(Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H21N3O5/c1-11(17(22)25-4)19-16(21)13-8-18-20(10-13)9-12-5-6-14(23-2)15(7-12)24-3/h5-8,10-11H,9H2,1-4H3,(H,19,21)/t11-/m0/s1
InChIKeyCIDNAVZSCYERMD-NSHDSACASA-N
MW347.37 g/mol
LogP1.24
Rot. Bonds7

About methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate

methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate (PubChem CID 126811745) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
PubChem CID126811745
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Namemethyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cnn(Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H21N3O5/c1-11(17(22)25-4)19-16(21)13-8-18-20(10-13)9-12-5-6-14(23-2)15(7-12)24-3/h5-8,10-11H,9H2,1-4H3,(H,19,21)/t11-/m0/s1
InChIKeyCIDNAVZSCYERMD-NSHDSACASA-N
XLogP1.24
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate with MolForge

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 126799547
methyl (2S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 27228320
(1-benzylpyrazol-4-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9474985
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 119526509
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
CID 86996428
1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide
CID 75371639
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
methyl (2S,3S)-2-[[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate
CID 8872122
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 107345092
(4S)-4-[(1-benzylpyrazole-4-carbonyl)amino]pentanoic acid
CID 97338785
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]propanoate
CID 60669043

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate (CID 126811745) is methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)c1cnn(Cc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate?
The InChIKey is CIDNAVZSCYERMD-NSHDSACASA-N. The full InChI is InChI=1S/C17H21N3O5/c1-11(17(22)25-4)19-16(21)13-8-18-20(10-13)9-12-5-6-14(23-2)15(7-12)24-3/h5-8,10-11H,9H2,1-4H3,(H,19,21)/t11-/m0/s1.
What are the key properties of methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate?
methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate has a molecular weight of 347.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate is sourced from PubChem (CID 126811745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).