4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one

C14H10ClN5O — CID 135976615

IUPAC4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2cccnc2)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C14H10ClN5O/c15-10-5-1-2-6-11(10)17-19-13-12(18-20-14(13)21)9-4-3-7-16-8-9/h1-8H,(H2,18,20,21)/b19-17+
InChIKeyDBLNZDPVDYTIQA-HTXNQAPBSA-N
MW299.72 g/mol
LogP3.83
Rot. Bonds3

About 4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one

4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one (PubChem CID 135976615) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one
PubChem CID135976615
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2cccnc2)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C14H10ClN5O/c15-10-5-1-2-6-11(10)17-19-13-12(18-20-14(13)21)9-4-3-7-16-8-9/h1-8H,(H2,18,20,21)/b19-17+
InChIKeyDBLNZDPVDYTIQA-HTXNQAPBSA-N
XLogP3.83
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

Gkt-136901
CID 17027464
2-(3-chloroanilino)-N'-[(E)-1-(4-pyridyl)methylidene]acetohydrazide
CID 9661728
2-(4-chloroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 58897672
5-(4-Chlorobenzylidene)-2-phenyl-3-(pyridin-3-yl)-1,2-dihydro-1,2,4-triazin-6(5H)-one (IVb)
CID 126963297
2-(4-chlorophenyl)-5-ethoxy-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
CID 1478318
2-chloro-N'-(2,5-dichlorophenyl)nicotinohydrazide
CID 1483565
5-methyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
CID 3717833
2-(4-chlorophenyl)-5-methyl-4-(pyridin-3-yldiazenyl)-1H-pyrazol-3-one
CID 3998831
1-acetyl-2-(2-chlorophenyl)-4-methyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 52948419
4-(2-Chlorophenyl)-13-(pyridin-3-ylmethyl)-4,5,9,13-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-diene-3,8-dione;hydrochloride
CID 57390546
(Z)-4-(2-(2-chlorophenyl)hydrazono)-3-(pyridin-2-yl)-1H-pyrazol-5(4H)-one
CID 135976614
(Z)-4-(2-(2-chlorophenyl)hydrazono)-3-(pyridin-4-yl)-1H-pyrazol-5(4H)-one
CID 135976616

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one (CID 135976615) is 4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one is O=c1[nH][nH]c(-c2cccnc2)c1/N=N/c1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one?
The InChIKey is DBLNZDPVDYTIQA-HTXNQAPBSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-10-5-1-2-6-11(10)17-19-13-12(18-20-14(13)21)9-4-3-7-16-8-9/h1-8H,(H2,18,20,21)/b19-17+.
What are the key properties of 4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one?
4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one has a molecular weight of 299.72 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)diazenyl]-5-pyridin-3-yl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).