2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid

C15H17N3O3 — CID 19492092

IUPAC2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCCc1ccc(NC(=O)CCn2nccc2C(=O)O)cc1
InChIInChI=1S/C15H17N3O3/c1-2-11-3-5-12(6-4-11)17-14(19)8-10-18-13(15(20)21)7-9-16-18/h3-7,9H,2,8,10H2,1H3,(H,17,19)(H,20,21)
InChIKeyYXYCBDQGLHYTQF-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.17
Rot. Bonds6

About 2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid

2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid (PubChem CID 19492092) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
PubChem CID19492092
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCCc1ccc(NC(=O)CCn2nccc2C(=O)O)cc1
InChIInChI=1S/C15H17N3O3/c1-2-11-3-5-12(6-4-11)17-14(19)8-10-18-13(15(20)21)7-9-16-18/h3-7,9H,2,8,10H2,1H3,(H,17,19)(H,20,21)
InChIKeyYXYCBDQGLHYTQF-UHFFFAOYSA-N
XLogP2.17
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485417
2-[3-[4-(diethylamino)anilino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492024
2-[3-oxo-3-(4-phenylanilino)propyl]pyrazole-3-carboxylic acid
CID 19492142
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
2-[3-[[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492226
3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491929
2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid
CID 19482824
3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
CID 109018341
2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid
CID 19492211
2-[3-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492113
2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492161
2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid
CID 19494063

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid (CID 19492092) is 2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid is CCc1ccc(NC(=O)CCn2nccc2C(=O)O)cc1.
What is the InChIKey of 2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid?
The InChIKey is YXYCBDQGLHYTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-11-3-5-12(6-4-11)17-14(19)8-10-18-13(15(20)21)7-9-16-18/h3-7,9H,2,8,10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid?
2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19492092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).