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

C20H17ClN6 — CID 7930178

IUPACN-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine
SMILESCc1nn(Cc2ccccc2)c(Cl)c1/C=N\Nc1nncc2ccccc12
InChIInChI=1S/C20H17ClN6/c1-14-18(19(21)27(26-14)13-15-7-3-2-4-8-15)12-23-25-20-17-10-6-5-9-16(17)11-22-24-20/h2-12H,13H2,1H3,(H,24,25)/b23-12-
InChIKeyUHDAYNVTYRITBA-FMCGGJTJSA-N
MW376.85 g/mol
LogP4.28
Rot. Bonds5

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

N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine (PubChem CID 7930178) has the molecular formula C20H17ClN6 and a molecular weight of 376.85 g/mol. Its IUPAC name is N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine
PubChem CID7930178
Molecular FormulaC20H17ClN6
Molecular Weight376.85 g/mol
Exact Mass376.12
IUPAC NameN-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine
SMILESCc1nn(Cc2ccccc2)c(Cl)c1/C=N\Nc1nncc2ccccc12
InChIInChI=1S/C20H17ClN6/c1-14-18(19(21)27(26-14)13-15-7-3-2-4-8-15)12-23-25-20-17-10-6-5-9-16(17)11-22-24-20/h2-12H,13H2,1H3,(H,24,25)/b23-12-
InChIKeyUHDAYNVTYRITBA-FMCGGJTJSA-N
XLogP4.28
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.28
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)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]phthalazin-1-amine
CID 7930139
N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine
CID 3464689
[(E)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]urea
CID 6909076
4-[(2Z)-2-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylidene]hydrazinyl]-3,5,6-trichloropyridine-2-carboxylic acid
CID 25379440
(Z)-1-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028217
3-[(2Z)-2-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylidene]hydrazinyl]-4-chlorobenzoic acid
CID 8974021
ethyl N-[(E)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]carbamate
CID 6909082
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine
CID 6845020
N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026544
N'-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9179636
N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine
CID 95185537
N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
CID 24792239

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine (CID 7930178) is N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine is Cc1nn(Cc2ccccc2)c(Cl)c1/C=N\Nc1nncc2ccccc12.
What is the InChIKey of N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine?
The InChIKey is UHDAYNVTYRITBA-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H17ClN6/c1-14-18(19(21)27(26-14)13-15-7-3-2-4-8-15)12-23-25-20-17-10-6-5-9-16(17)11-22-24-20/h2-12H,13H2,1H3,(H,24,25)/b23-12-.
What are the key properties of N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine?
N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine has a molecular weight of 376.85 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 7930178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).