N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine

C19H14ClFN6 — CID 7930139

IUPACN-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N\Nc1nncc2ccccc12
InChIInChI=1S/C19H14ClFN6/c1-12-17(18(20)27(26-12)15-8-6-14(21)7-9-15)11-23-25-19-16-5-3-2-4-13(16)10-22-24-19/h2-11H,1H3,(H,24,25)/b23-11-
InChIKeyXEZMSNOLNYZVIR-KSEXSDGBSA-N
MW380.81 g/mol
LogP4.36
Rot. Bonds4

About N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine

N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine (PubChem CID 7930139) has the molecular formula C19H14ClFN6 and a molecular weight of 380.81 g/mol. Its IUPAC name is N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine
PubChem CID7930139
Molecular FormulaC19H14ClFN6
Molecular Weight380.81 g/mol
Exact Mass380.10
IUPAC NameN-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N\Nc1nncc2ccccc12
InChIInChI=1S/C19H14ClFN6/c1-12-17(18(20)27(26-12)15-8-6-14(21)7-9-15)11-23-25-19-16-5-3-2-4-13(16)10-22-24-19/h2-11H,1H3,(H,24,25)/b23-11-
InChIKeyXEZMSNOLNYZVIR-KSEXSDGBSA-N
XLogP4.36
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.36
H-Bond Donors ≤ 51
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-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine
CID 7930178
N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2,4-difluoroaniline
CID 9058452
3-[(2Z)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135912590
N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline
CID 7301273
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]naphthalen-2-amine
CID 3669791
N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 8005059
2-(benzotriazol-1-yl)-N-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]acetamide
CID 2359228
N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 46662584
3-[(2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135454378
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-benzimidazol-2-amine
CID 4573901
N-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 2344277
1-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-3-(2-methoxyethyl)thiourea
CID 6892970

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine (CID 7930139) is N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine is Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N\Nc1nncc2ccccc12.
What is the InChIKey of N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine?
The InChIKey is XEZMSNOLNYZVIR-KSEXSDGBSA-N. The full InChI is InChI=1S/C19H14ClFN6/c1-12-17(18(20)27(26-12)15-8-6-14(21)7-9-15)11-23-25-19-16-5-3-2-4-13(16)10-22-24-19/h2-11H,1H3,(H,24,25)/b23-11-.
What are the key properties of N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine?
N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine has a molecular weight of 380.81 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 7930139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).