1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C17H19N5O — CID 51086173

IUPAC1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESc1ccc(Cn2cc(CNCc3nc(C4CC4)no3)cn2)cc1
InChIInChI=1S/C17H19N5O/c1-2-4-13(5-3-1)11-22-12-14(9-19-22)8-18-10-16-20-17(21-23-16)15-6-7-15/h1-5,9,12,15,18H,6-8,10-11H2
InChIKeyLSQYFBZZYJYATH-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.48
Rot. Bonds7

About 1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 51086173) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID51086173
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESc1ccc(Cn2cc(CNCc3nc(C4CC4)no3)cn2)cc1
InChIInChI=1S/C17H19N5O/c1-2-4-13(5-3-1)11-22-12-14(9-19-22)8-18-10-16-20-17(21-23-16)15-6-7-15/h1-5,9,12,15,18H,6-8,10-11H2
InChIKeyLSQYFBZZYJYATH-UHFFFAOYSA-N
XLogP2.48
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 51086173) is 1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is c1ccc(Cn2cc(CNCc3nc(C4CC4)no3)cn2)cc1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is LSQYFBZZYJYATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-4-13(5-3-1)11-22-12-14(9-19-22)8-18-10-16-20-17(21-23-16)15-6-7-15/h1-5,9,12,15,18H,6-8,10-11H2.
What are the key properties of 1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 309.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 51086173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).