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

C13H16F3N5O — CID 133445691

IUPACN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCCc1nn(C)c(OC)c1CNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C13H16F3N5O/c1-4-9-8(12(22-3)21(2)20-9)7-17-11-6-5-10(18-19-11)13(14,15)16/h5-6H,4,7H2,1-3H3,(H,17,19)
InChIKeyLQYDALWXNWGSGM-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.41
Rot. Bonds5

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

N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133445691) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133445691
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCCc1nn(C)c(OC)c1CNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C13H16F3N5O/c1-4-9-8(12(22-3)21(2)20-9)7-17-11-6-5-10(18-19-11)13(14,15)16/h5-6H,4,7H2,1-3H3,(H,17,19)
InChIKeyLQYDALWXNWGSGM-UHFFFAOYSA-N
XLogP2.41
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.41
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-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 133445691) is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine is CCc1nn(C)c(OC)c1CNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is LQYDALWXNWGSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-4-9-8(12(22-3)21(2)20-9)7-17-11-6-5-10(18-19-11)13(14,15)16/h5-6H,4,7H2,1-3H3,(H,17,19).
What are the key properties of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 315.30 g/mol, XLogP of 2.41, 5 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-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133445691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).