2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid

C16H19N3O5 — CID 119197706

IUPAC2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)c2ccnn2C)cc(OC)c1
InChIInChI=1S/C16H19N3O5/c1-18-14(4-5-17-18)16(22)19(10-15(20)21)9-11-6-12(23-2)8-13(7-11)24-3/h4-8H,9-10H2,1-3H3,(H,20,21)
InChIKeyWHPVWBMDHGPAFN-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.16
Rot. Bonds7

About 2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid

2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid (PubChem CID 119197706) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
PubChem CID119197706
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)c2ccnn2C)cc(OC)c1
InChIInChI=1S/C16H19N3O5/c1-18-14(4-5-17-18)16(22)19(10-15(20)21)9-11-6-12(23-2)8-13(7-11)24-3/h4-8H,9-10H2,1-3H3,(H,20,21)
InChIKeyWHPVWBMDHGPAFN-UHFFFAOYSA-N
XLogP1.16
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 61011424
2-[(3,5-dimethoxyphenyl)methyl-(furan-3-carbonyl)amino]acetic acid
CID 119197732
2-[(2-methylpyrazole-3-carbonyl)-propylamino]acetic acid
CID 61006717
2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197682
2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid
CID 120518082
2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 120686230
2-[(3,5-dimethoxyphenyl)methyl-(4-fluoro-2-methylbenzoyl)amino]acetic acid
CID 120518096
2-[(5-chlorothiophene-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197465
2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid
CID 120976580
2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid
CID 119197735
2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
CID 119197506
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid (CID 119197706) is 2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid is COc1cc(CN(CC(=O)O)C(=O)c2ccnn2C)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid?
The InChIKey is WHPVWBMDHGPAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-18-14(4-5-17-18)16(22)19(10-15(20)21)9-11-6-12(23-2)8-13(7-11)24-3/h4-8H,9-10H2,1-3H3,(H,20,21).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid?
2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid has a molecular weight of 333.34 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 119197706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).