2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid

C18H20N4O4 — CID 15986936

IUPAC2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid
SMILESO=C(CCc1cnn(-c2ccc(O)cn2)c1)NC1=C(C(=O)O)CCCC1
InChIInChI=1S/C18H20N4O4/c23-13-6-7-16(19-10-13)22-11-12(9-20-22)5-8-17(24)21-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,23H,1-5,8H2,(H,21,24)(H,25,26)
InChIKeyLIVIJDKCZQUWLW-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.93
Rot. Bonds6

About 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid

2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid (PubChem CID 15986936) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid
PubChem CID15986936
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid
SMILESO=C(CCc1cnn(-c2ccc(O)cn2)c1)NC1=C(C(=O)O)CCCC1
InChIInChI=1S/C18H20N4O4/c23-13-6-7-16(19-10-13)22-11-12(9-20-22)5-8-17(24)21-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,23H,1-5,8H2,(H,21,24)(H,25,26)
InChIKeyLIVIJDKCZQUWLW-UHFFFAOYSA-N
XLogP1.93
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-{3-[1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl]propanamido}benzoic acid
CID 24741310
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-hydroxypyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138079
2-[[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid
CID 46890197
2-[3-[1-(5-Hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]propanoylamino]benzoic acid
CID 46890198
2-[[3-[1-(5-Hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]benzoic acid
CID 46890199
2-[3-[1-(5-Hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid
CID 46890237
2-[[3-[1-(5-Hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
CID 46890238
2-[[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
CID 46890239
2-[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]cyclohexene-1-carboxylic acid
CID 46890240
2-[[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
CID 46890272
(4R)-2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2-methylpropanamido)-4-methylcyclohex-1-enecarboxylic acid
CID 46890274
2-[[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-propylcyclohexene-1-carboxylic acid
CID 46890275

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid?
The IUPAC name of 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid (CID 15986936) is 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid?
The canonical SMILES for 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid is O=C(CCc1cnn(-c2ccc(O)cn2)c1)NC1=C(C(=O)O)CCCC1.
What is the InChIKey of 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid?
The InChIKey is LIVIJDKCZQUWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-13-6-7-16(19-10-13)22-11-12(9-20-22)5-8-17(24)21-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,23H,1-5,8H2,(H,21,24)(H,25,26).
What are the key properties of 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid?
2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid is sourced from PubChem (CID 15986936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).