N'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide

C20H14ClN5O3 — CID 4786827

IUPACN'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O)c1ccc2ccccc2n1
InChIInChI=1S/C20H14ClN5O3/c21-13-6-8-14(9-7-13)26-11-17(27)18(25-26)20(29)24-23-19(28)16-10-5-12-3-1-2-4-15(12)22-16/h1-11,27H,(H,23,28)(H,24,29)
InChIKeyJDMJUZAHKTYQSG-UHFFFAOYSA-N
MW407.82 g/mol
LogP2.85
Rot. Bonds3

About N'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide

N'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide (PubChem CID 4786827) has the molecular formula C20H14ClN5O3 and a molecular weight of 407.82 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide
PubChem CID4786827
Molecular FormulaC20H14ClN5O3
Molecular Weight407.82 g/mol
Exact Mass407.08
IUPAC NameN'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O)c1ccc2ccccc2n1
InChIInChI=1S/C20H14ClN5O3/c21-13-6-8-14(9-7-13)26-11-17(27)18(25-26)20(29)24-23-19(28)16-10-5-12-3-1-2-4-15(12)22-16/h1-11,27H,(H,23,28)(H,24,29)
InChIKeyJDMJUZAHKTYQSG-UHFFFAOYSA-N
XLogP2.85
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.82
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide (CID 4786827) is N'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide is O=C(NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O)c1ccc2ccccc2n1.
What is the InChIKey of N'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide?
The InChIKey is JDMJUZAHKTYQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O3/c21-13-6-8-14(9-7-13)26-11-17(27)18(25-26)20(29)24-23-19(28)16-10-5-12-3-1-2-4-15(12)22-16/h1-11,27H,(H,23,28)(H,24,29).
What are the key properties of N'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide?
N'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide has a molecular weight of 407.82 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 4786827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).