4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one

C16H15N5O3 — CID 135976662

IUPAC4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccccc1/N=N/c1c(-c2cnccc2OC)[nH][nH]c1=O
InChIInChI=1S/C16H15N5O3/c1-23-12-7-8-17-9-10(12)14-15(16(22)21-19-14)20-18-11-5-3-4-6-13(11)24-2/h3-9H,1-2H3,(H2,19,21,22)/b20-18+
InChIKeyDLKYRZIONDUZAI-CZIZESTLSA-N
MW325.33 g/mol
LogP3.20
Rot. Bonds5

About 4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one

4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one (PubChem CID 135976662) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one
PubChem CID135976662
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccccc1/N=N/c1c(-c2cnccc2OC)[nH][nH]c1=O
InChIInChI=1S/C16H15N5O3/c1-23-12-7-8-17-9-10(12)14-15(16(22)21-19-14)20-18-11-5-3-4-6-13(11)24-2/h3-9H,1-2H3,(H2,19,21,22)/b20-18+
InChIKeyDLKYRZIONDUZAI-CZIZESTLSA-N
XLogP3.20
TPSA104.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

CID 6889870
CID 6889870
CID 135685787
CID 135685787
CID 57402815
CID 57402815
CID 135976588
CID 135976588
CID 135976589
CID 135976589
CID 135976590
CID 135976590
CID 135976592
CID 135976592
CID 135976624
CID 135976624
CID 135976625
CID 135976625
CID 135976626
CID 135976626
CID 135976631
CID 135976631
CID 135976637
CID 135976637

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one (CID 135976662) is 4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one is COc1ccccc1/N=N/c1c(-c2cnccc2OC)[nH][nH]c1=O.
What is the InChIKey of 4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one?
The InChIKey is DLKYRZIONDUZAI-CZIZESTLSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-23-12-7-8-17-9-10(12)14-15(16(22)21-19-14)20-18-11-5-3-4-6-13(11)24-2/h3-9H,1-2H3,(H2,19,21,22)/b20-18+.
What are the key properties of 4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one?
4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one has a molecular weight of 325.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)diazenyl]-5-(4-methoxy-3-pyridinyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).