3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid

C19H18N4O4 — CID 108793413

IUPAC3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)cnn1-c1ccccn1
InChIInChI=1S/C19H18N4O4/c1-12-15(11-21-23(12)17-4-2-3-9-20-17)18(25)22-16(19(26)27)10-13-5-7-14(24)8-6-13/h2-9,11,16,24H,10H2,1H3,(H,22,25)(H,26,27)
InChIKeyLELDEBLNKUFOHS-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.71
Rot. Bonds6

About 3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid

3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 108793413) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID108793413
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)cnn1-c1ccccn1
InChIInChI=1S/C19H18N4O4/c1-12-15(11-21-23(12)17-4-2-3-9-20-17)18(25)22-16(19(26)27)10-13-5-7-14(24)8-6-13/h2-9,11,16,24H,10H2,1H3,(H,22,25)(H,26,27)
InChIKeyLELDEBLNKUFOHS-UHFFFAOYSA-N
XLogP1.71
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 108805316
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
N-[1-(2-fluorophenyl)propan-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 86830130
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108801795
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
bis(2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoic acid);ethane-1,1-diamine
CID 70569560
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid (CID 108793413) is 3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid is Cc1c(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)cnn1-c1ccccn1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is LELDEBLNKUFOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-12-15(11-21-23(12)17-4-2-3-9-20-17)18(25)22-16(19(26)27)10-13-5-7-14(24)8-6-13/h2-9,11,16,24H,10H2,1H3,(H,22,25)(H,26,27).
What are the key properties of 3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 366.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 108793413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).