1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid

C17H21N3O3 — CID 19502144

IUPAC1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
SMILESCCCc1ccc(C(C)NC(=O)Cn2ccc(C(=O)O)n2)cc1
InChIInChI=1S/C17H21N3O3/c1-3-4-13-5-7-14(8-6-13)12(2)18-16(21)11-20-10-9-15(19-20)17(22)23/h5-10,12H,3-4,11H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyBLUDVRUNQQOZSV-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.41
Rot. Bonds7

About 1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid

1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid (PubChem CID 19502144) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
PubChem CID19502144
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
SMILESCCCc1ccc(C(C)NC(=O)Cn2ccc(C(=O)O)n2)cc1
InChIInChI=1S/C17H21N3O3/c1-3-4-13-5-7-14(8-6-13)12(2)18-16(21)11-20-10-9-15(19-20)17(22)23/h5-10,12H,3-4,11H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyBLUDVRUNQQOZSV-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502242
1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624233
1-[2-(butan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624158
1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid
CID 29089973
1-[3-[1-(4-tert-butylphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470667
1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624217
1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502162
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide
CID 17148730
1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 28848692
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide
CID 17148718
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502091

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid (CID 19502144) is 1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid is CCCc1ccc(C(C)NC(=O)Cn2ccc(C(=O)O)n2)cc1.
What is the InChIKey of 1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid?
The InChIKey is BLUDVRUNQQOZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-4-13-5-7-14(8-6-13)12(2)18-16(21)11-20-10-9-15(19-20)17(22)23/h5-10,12H,3-4,11H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid?
1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19502144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).