3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid

C15H17N3O4 — CID 166289655

IUPAC3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
SMILESCCc1nn(C)cc1NC(=O)c1cccc(C(=O)O)c1OC
InChIInChI=1S/C15H17N3O4/c1-4-11-12(8-18(2)17-11)16-14(19)9-6-5-7-10(15(20)21)13(9)22-3/h5-8H,4H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyOHKXYTBIWKAFAF-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.94
Rot. Bonds5

About 3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid

3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid (PubChem CID 166289655) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
PubChem CID166289655
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
SMILESCCc1nn(C)cc1NC(=O)c1cccc(C(=O)O)c1OC
InChIInChI=1S/C15H17N3O4/c1-4-11-12(8-18(2)17-11)16-14(19)9-6-5-7-10(15(20)21)13(9)22-3/h5-8H,4H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyOHKXYTBIWKAFAF-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195
2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
CID 107462256
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
CID 107463102
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 103910051
N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide
CID 107463107
3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095890

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid (CID 166289655) is 3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid is CCc1nn(C)cc1NC(=O)c1cccc(C(=O)O)c1OC.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid?
The InChIKey is OHKXYTBIWKAFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-4-11-12(8-18(2)17-11)16-14(19)9-6-5-7-10(15(20)21)13(9)22-3/h5-8H,4H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid?
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid has a molecular weight of 303.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 166289655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).