4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine

C15H13ClN6O — CID 177377774

IUPAC4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine
SMILESCOc1ccc(/C=N/C2=NN=C(N)C2c2ccc(Cl)nn2)cc1
InChIInChI=1S/C15H13ClN6O/c1-23-10-4-2-9(3-5-10)8-18-15-13(14(17)21-22-15)11-6-7-12(16)20-19-11/h2-8,13H,1H3,(H2,17,21)/b18-8+
InChIKeySWUVZSFIBSMELP-QGMBQPNBSA-N
MW328.76 g/mol
LogP2.03
Rot. Bonds3

About 4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine

4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine (PubChem CID 177377774) has the molecular formula C15H13ClN6O and a molecular weight of 328.76 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine
PubChem CID177377774
Molecular FormulaC15H13ClN6O
Molecular Weight328.76 g/mol
Exact Mass328.08
IUPAC Name4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine
SMILESCOc1ccc(/C=N/C2=NN=C(N)C2c2ccc(Cl)nn2)cc1
InChIInChI=1S/C15H13ClN6O/c1-23-10-4-2-9(3-5-10)8-18-15-13(14(17)21-22-15)11-6-7-12(16)20-19-11/h2-8,13H,1H3,(H2,17,21)/b18-8+
InChIKeySWUVZSFIBSMELP-QGMBQPNBSA-N
XLogP2.03
TPSA98.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine?
The IUPAC name of 4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine (CID 177377774) is 4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine is COc1ccc(/C=N/C2=NN=C(N)C2c2ccc(Cl)nn2)cc1.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine?
The InChIKey is SWUVZSFIBSMELP-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13ClN6O/c1-23-10-4-2-9(3-5-10)8-18-15-13(14(17)21-22-15)11-6-7-12(16)20-19-11/h2-8,13H,1H3,(H2,17,21)/b18-8+.
What are the key properties of 4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine?
4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine has a molecular weight of 328.76 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)-5-[(4-methoxyphenyl)methylideneamino]-4H-pyrazol-3-amine is sourced from PubChem (CID 177377774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).