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

C19H22N4O4 — CID 46890272

IUPAC2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
SMILESCC(Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CCCC1
InChIInChI=1S/C19H22N4O4/c1-12(18(25)21-16-5-3-2-4-15(16)19(26)27)10-13-8-9-23(22-13)17-7-6-14(24)11-20-17/h6-9,11-12,24H,2-5,10H2,1H3,(H,21,25)(H,26,27)
InChIKeyIZWYGEMCEQMIQA-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.18
Rot. Bonds6

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

2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid (PubChem CID 46890272) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
PubChem CID46890272
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
SMILESCC(Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CCCC1
InChIInChI=1S/C19H22N4O4/c1-12(18(25)21-16-5-3-2-4-15(16)19(26)27)10-13-8-9-23(22-13)17-7-6-14(24)11-20-17/h6-9,11-12,24H,2-5,10H2,1H3,(H,21,25)(H,26,27)
InChIKeyIZWYGEMCEQMIQA-UHFFFAOYSA-N
XLogP2.18
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid with MolForge

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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-hydroxypyridin-2-yl)-1H-pyrazol-4-yl)propanamido)cyclohex-1-enecarboxylicacid
CID 15986936
Rac-2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)butanamido)cyclohex-1-enecarboxylic acid
CID 135416391
2-(3-(3-(5-Hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)-2-methylpropanamido)cyclohex-1-enecarboxylic acid
CID 135416392
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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid?
The IUPAC name of 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid (CID 46890272) is 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid?
The canonical SMILES for 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid is CC(Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CCCC1.
What is the InChIKey of 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid?
The InChIKey is IZWYGEMCEQMIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12(18(25)21-16-5-3-2-4-15(16)19(26)27)10-13-8-9-23(22-13)17-7-6-14(24)11-20-17/h6-9,11-12,24H,2-5,10H2,1H3,(H,21,25)(H,26,27).
What are the key properties of 2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid?
2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 2.18, 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-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid is sourced from PubChem (CID 46890272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).