N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine

C19H16F3N5O — CID 137133636

IUPACN-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine
SMILESCc1cc(/N=C2\NN(c3ccc(OC(F)(F)F)cc3)Cc3ccccc32)n[nH]1
InChIInChI=1S/C19H16F3N5O/c1-12-10-17(25-24-12)23-18-16-5-3-2-4-13(16)11-27(26-18)14-6-8-15(9-7-14)28-19(20,21)22/h2-10H,11H2,1H3,(H2,23,24,25,26)
InChIKeyJWXZGKDIZALDLH-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.22
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine

N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine (PubChem CID 137133636) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine
PubChem CID137133636
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine
SMILESCc1cc(/N=C2\NN(c3ccc(OC(F)(F)F)cc3)Cc3ccccc32)n[nH]1
InChIInChI=1S/C19H16F3N5O/c1-12-10-17(25-24-12)23-18-16-5-3-2-4-13(16)11-27(26-18)14-6-8-15(9-7-14)28-19(20,21)22/h2-10H,11H2,1H3,(H2,23,24,25,26)
InChIKeyJWXZGKDIZALDLH-UHFFFAOYSA-N
XLogP4.22
TPSA65.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine (CID 137133636) is N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine is Cc1cc(/N=C2\NN(c3ccc(OC(F)(F)F)cc3)Cc3ccccc32)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine?
The InChIKey is JWXZGKDIZALDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-12-10-17(25-24-12)23-18-16-5-3-2-4-13(16)11-27(26-18)14-6-8-15(9-7-14)28-19(20,21)22/h2-10H,11H2,1H3,(H2,23,24,25,26).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine?
N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine has a molecular weight of 387.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydrophthalazin-1-imine is sourced from PubChem (CID 137133636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).