3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid

C19H17N5O3 — CID 42559854

IUPAC3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(/C=N/NC(=O)c2ccncc2)c(-c2ccccc2)n1
InChIInChI=1S/C19H17N5O3/c25-17(26)8-11-24-13-16(18(23-24)14-4-2-1-3-5-14)12-21-22-19(27)15-6-9-20-10-7-15/h1-7,9-10,12-13H,8,11H2,(H,22,27)(H,25,26)/b21-12+
InChIKeyVWHMUDYMPSYFBU-CIAFOILYSA-N
MW363.38 g/mol
LogP2.18
Rot. Bonds7

About 3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid

3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid (PubChem CID 42559854) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid
PubChem CID42559854
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(/C=N/NC(=O)c2ccncc2)c(-c2ccccc2)n1
InChIInChI=1S/C19H17N5O3/c25-17(26)8-11-24-13-16(18(23-24)14-4-2-1-3-5-14)12-21-22-19(27)15-6-9-20-10-7-15/h1-7,9-10,12-13H,8,11H2,(H,22,27)(H,25,26)/b21-12+
InChIKeyVWHMUDYMPSYFBU-CIAFOILYSA-N
XLogP2.18
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
CID 4504148
N-[(E)-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6899098
N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 9015279
3-[4-[(E)-2-carboxyethenyl]-3-phenylpyrazol-1-yl]propanoic acid
CID 2389007
3-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]-3-(4-methoxyphenyl)pyrazol-1-yl]propanoic acid
CID 6072177
N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 19578405
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide
CID 9175064
N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 2369310
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6899097
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992

Frequently Asked Questions

What is the IUPAC name of 3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid (CID 42559854) is 3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(/C=N/NC(=O)c2ccncc2)c(-c2ccccc2)n1.
What is the InChIKey of 3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid?
The InChIKey is VWHMUDYMPSYFBU-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17N5O3/c25-17(26)8-11-24-13-16(18(23-24)14-4-2-1-3-5-14)12-21-22-19(27)15-6-9-20-10-7-15/h1-7,9-10,12-13H,8,11H2,(H,22,27)(H,25,26)/b21-12+.
What are the key properties of 3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid?
3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid has a molecular weight of 363.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 42559854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).