2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

C16H19N3O4 — CID 19623530

IUPAC2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCOc1ccc(CCNC(=O)c2ccn(C(C)C(=O)O)n2)cc1
InChIInChI=1S/C16H19N3O4/c1-11(16(21)22)19-10-8-14(18-19)15(20)17-9-7-12-3-5-13(23-2)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyQDCZBBPIDPIFDM-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.51
Rot. Bonds7

About 2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19623530) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19623530
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCOc1ccc(CCNC(=O)c2ccn(C(C)C(=O)O)n2)cc1
InChIInChI=1S/C16H19N3O4/c1-11(16(21)22)19-10-8-14(18-19)15(20)17-9-7-12-3-5-13(23-2)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyQDCZBBPIDPIFDM-UHFFFAOYSA-N
XLogP1.51
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950233
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504324
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
N-[2-(4-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705227
2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623498
N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271398
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109118946
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109095851
N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62239248
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19623530) is 2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid is COc1ccc(CCNC(=O)c2ccn(C(C)C(=O)O)n2)cc1.
What is the InChIKey of 2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is QDCZBBPIDPIFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11(16(21)22)19-10-8-14(18-19)15(20)17-9-7-12-3-5-13(23-2)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 317.35 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19623530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).