1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid

C17H21N3O5 — CID 19505031

IUPAC1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCOc1ccc(OC)c(C(C)NC(=O)C(C)n2cc(C(=O)O)cn2)c1
InChIInChI=1S/C17H21N3O5/c1-10(14-7-13(24-3)5-6-15(14)25-4)19-16(21)11(2)20-9-12(8-18-20)17(22)23/h5-11H,1-4H3,(H,19,21)(H,22,23)
InChIKeyNRGLWFZBQUNLMI-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.04
Rot. Bonds7

About 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid

1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (PubChem CID 19505031) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
PubChem CID19505031
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCOc1ccc(OC)c(C(C)NC(=O)C(C)n2cc(C(=O)O)cn2)c1
InChIInChI=1S/C17H21N3O5/c1-10(14-7-13(24-3)5-6-15(14)25-4)19-16(21)11(2)20-9-12(8-18-20)17(22)23/h5-11H,1-4H3,(H,19,21)(H,22,23)
InChIKeyNRGLWFZBQUNLMI-UHFFFAOYSA-N
XLogP2.04
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid 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

1-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 29089861
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 51076839
1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907878
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 19537915
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 134048712
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34952535
tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate
CID 63790271
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 19535063
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide
CID 51207681
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (CID 19505031) is 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is COc1ccc(OC)c(C(C)NC(=O)C(C)n2cc(C(=O)O)cn2)c1.
What is the InChIKey of 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is NRGLWFZBQUNLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-10(14-7-13(24-3)5-6-15(14)25-4)19-16(21)11(2)20-9-12(8-18-20)17(22)23/h5-11H,1-4H3,(H,19,21)(H,22,23).
What are the key properties of 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 347.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19505031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).