1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine

C20H14Cl2FN5 — CID 2766455

IUPAC1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine
SMILESNc1c(-c2ccc(F)cc2)cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C20H14Cl2FN5/c21-14-4-1-13(18(22)10-14)9-16-7-8-19(27-26-16)28-20(24)17(11-25-28)12-2-5-15(23)6-3-12/h1-8,10-11H,9,24H2
InChIKeyOYXJLGCAUQIFBZ-UHFFFAOYSA-N
MW414.27 g/mol
LogP4.95
Rot. Bonds4

About 1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine

1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine (PubChem CID 2766455) has the molecular formula C20H14Cl2FN5 and a molecular weight of 414.27 g/mol. Its IUPAC name is 1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine
PubChem CID2766455
Molecular FormulaC20H14Cl2FN5
Molecular Weight414.27 g/mol
Exact Mass413.06
IUPAC Name1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine
SMILESNc1c(-c2ccc(F)cc2)cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C20H14Cl2FN5/c21-14-4-1-13(18(22)10-14)9-16-7-8-19(27-26-16)28-20(24)17(11-25-28)12-2-5-15(23)6-3-12/h1-8,10-11H,9,24H2
InChIKeyOYXJLGCAUQIFBZ-UHFFFAOYSA-N
XLogP4.95
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine?
The IUPAC name of 1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine (CID 2766455) is 1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine?
The canonical SMILES for 1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine is Nc1c(-c2ccc(F)cc2)cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of 1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine?
The InChIKey is OYXJLGCAUQIFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FN5/c21-14-4-1-13(18(22)10-14)9-16-7-8-19(27-26-16)28-20(24)17(11-25-28)12-2-5-15(23)6-3-12/h1-8,10-11H,9,24H2.
What are the key properties of 1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine?
1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine has a molecular weight of 414.27 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2,4-dichlorophenyl)methyl]pyridazin-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 2766455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).