methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate

C18H23N3O5 — CID 19341512

IUPACmethyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate
SMILESCCOc1ccc(CC(=O)Nc2cn(C)nc2C(=O)OC)cc1OCC
InChIInChI=1S/C18H23N3O5/c1-5-25-14-8-7-12(9-15(14)26-6-2)10-16(22)19-13-11-21(3)20-17(13)18(23)24-4/h7-9,11H,5-6,10H2,1-4H3,(H,19,22)
InChIKeyPYAONGHQKADPRS-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.19
Rot. Bonds8

About methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate

methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate (PubChem CID 19341512) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate
PubChem CID19341512
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Namemethyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate
SMILESCCOc1ccc(CC(=O)Nc2cn(C)nc2C(=O)OC)cc1OCC
InChIInChI=1S/C18H23N3O5/c1-5-25-14-8-7-12(9-15(14)26-6-2)10-16(22)19-13-11-21(3)20-17(13)18(23)24-4/h7-9,11H,5-6,10H2,1-4H3,(H,19,22)
InChIKeyPYAONGHQKADPRS-UHFFFAOYSA-N
XLogP2.19
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide
CID 19410975
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 5139669
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(3,4-diethoxyphenyl)acetamide
CID 19394586
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263994
methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
CID 19341551
methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate
CID 19341646
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide
CID 17088858
2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide
CID 11361152
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-diethoxyphenyl)acetamide
CID 1013771
2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 17088770

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate (CID 19341512) is methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate is CCOc1ccc(CC(=O)Nc2cn(C)nc2C(=O)OC)cc1OCC.
What is the InChIKey of methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate?
The InChIKey is PYAONGHQKADPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-5-25-14-8-7-12(9-15(14)26-6-2)10-16(22)19-13-11-21(3)20-17(13)18(23)24-4/h7-9,11H,5-6,10H2,1-4H3,(H,19,22).
What are the key properties of methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate?
methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 19341512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).