N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine

C18H20FN5O — CID 133445605

IUPACN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine
SMILESCCc1nn(C)c(OC)c1CNc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C18H20FN5O/c1-4-15-14(18(25-3)24(2)23-15)11-20-17-10-9-16(21-22-17)12-5-7-13(19)8-6-12/h5-10H,4,11H2,1-3H3,(H,20,22)
InChIKeyLISKPUQAWOZVSS-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.20
Rot. Bonds6

About N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine

N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine (PubChem CID 133445605) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine
PubChem CID133445605
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine
SMILESCCc1nn(C)c(OC)c1CNc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C18H20FN5O/c1-4-15-14(18(25-3)24(2)23-15)11-20-17-10-9-16(21-22-17)12-5-7-13(19)8-6-12/h5-10H,4,11H2,1-3H3,(H,20,22)
InChIKeyLISKPUQAWOZVSS-UHFFFAOYSA-N
XLogP3.20
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine?
The IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine (CID 133445605) is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine.
What is the SMILES notation for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine?
The canonical SMILES for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine is CCc1nn(C)c(OC)c1CNc1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine?
The InChIKey is LISKPUQAWOZVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-4-15-14(18(25-3)24(2)23-15)11-20-17-10-9-16(21-22-17)12-5-7-13(19)8-6-12/h5-10H,4,11H2,1-3H3,(H,20,22).
What are the key properties of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine?
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine has a molecular weight of 341.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine is sourced from PubChem (CID 133445605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).