methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate

C18H23N3O4 — CID 11290915

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate
SMILESCOC(=O)CN(CCn1nc(-c2ccccc2)cc1C)CC(=O)OC
InChIInChI=1S/C18H23N3O4/c1-14-11-16(15-7-5-4-6-8-15)19-21(14)10-9-20(12-17(22)24-2)13-18(23)25-3/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyCXLOJHPVRQJNPE-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.51
Rot. Bonds8

About methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate (PubChem CID 11290915) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate
PubChem CID11290915
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate
SMILESCOC(=O)CN(CCn1nc(-c2ccccc2)cc1C)CC(=O)OC
InChIInChI=1S/C18H23N3O4/c1-14-11-16(15-7-5-4-6-8-15)19-21(14)10-9-20(12-17(22)24-2)13-18(23)25-3/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyCXLOJHPVRQJNPE-UHFFFAOYSA-N
XLogP1.51
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate
CID 70669546
1-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-3-phenylpyrazole
CID 97302047
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
CID 72868270
ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
CID 820314
methyl 3-(2-benzoylanilino)-3-[4-[2-(5-methyl-3-phenylpyrazol-1-yl)ethoxy]phenyl]propanoate
CID 70229713
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol
CID 168921661
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
methyl 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetate
CID 43839948
N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide
CID 82723163
methyl 2-[benzyl-[(4-methyl-1-oxophthalazin-2-yl)methyl]amino]acetate
CID 60579194
methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate
CID 25358277

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate (CID 11290915) is methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate is COC(=O)CN(CCn1nc(-c2ccccc2)cc1C)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate?
The InChIKey is CXLOJHPVRQJNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-14-11-16(15-7-5-4-6-8-15)19-21(14)10-9-20(12-17(22)24-2)13-18(23)25-3/h4-8,11H,9-10,12-13H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate has a molecular weight of 345.40 g/mol, XLogP of 1.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate is sourced from PubChem (CID 11290915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).