1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid

C15H17N3O4 — CID 167262385

IUPAC1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)n(C(C)c2cccc(OC)c2)n1
InChIInChI=1S/C15H17N3O4/c1-9(10-5-4-6-11(7-10)22-3)18-13(15(20)21)8-12(17-18)14(19)16-2/h4-9H,1-3H3,(H,16,19)(H,20,21)
InChIKeyTUUTUDOOLVVCBL-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.56
Rot. Bonds5

About 1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid

1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid (PubChem CID 167262385) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid
PubChem CID167262385
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)n(C(C)c2cccc(OC)c2)n1
InChIInChI=1S/C15H17N3O4/c1-9(10-5-4-6-11(7-10)22-3)18-13(15(20)21)8-12(17-18)14(19)16-2/h4-9H,1-3H3,(H,16,19)(H,20,21)
InChIKeyTUUTUDOOLVVCBL-UHFFFAOYSA-N
XLogP1.56
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-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-[(1S)-1-(3-methoxyphenyl)ethyl]-3-N-methyl-5-N-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]pyrazole-3,5-dicarboxamide
CID 149299229
5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 167262141
3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid
CID 167262660
5-N-(cyclopropylmethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418016
methyl 1-[(1S)-1-(2-fluorophenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylate
CID 146992793
(2S)-2-[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 95312026
3-fluoro-1-(1-phenylethyl)pyrazole-5-carboxylic acid
CID 155893876
1-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]triazole-4-carboxylic acid
CID 103258044
1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704346
2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
CID 10036152
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-[1-(3-methoxyphenyl)ethyl]-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
CID 175094959

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid (CID 167262385) is 1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid is CNC(=O)c1cc(C(=O)O)n(C(C)c2cccc(OC)c2)n1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid?
The InChIKey is TUUTUDOOLVVCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9(10-5-4-6-11(7-10)22-3)18-13(15(20)21)8-12(17-18)14(19)16-2/h4-9H,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid?
1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 167262385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).