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

C20H19N5O — CID 166184704

IUPAC1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESc1ccc(Cn2cc(CNCc3nc(-c4ccccc4)no3)cn2)cc1
InChIInChI=1S/C20H19N5O/c1-3-7-16(8-4-1)14-25-15-17(12-22-25)11-21-13-19-23-20(24-26-19)18-9-5-2-6-10-18/h1-10,12,15,21H,11,13-14H2
InChIKeyDVHDKPOBIFDYPU-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.27
Rot. Bonds7

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

1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 166184704) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID166184704
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESc1ccc(Cn2cc(CNCc3nc(-c4ccccc4)no3)cn2)cc1
InChIInChI=1S/C20H19N5O/c1-3-7-16(8-4-1)14-25-15-17(12-22-25)11-21-13-19-23-20(24-26-19)18-9-5-2-6-10-18/h1-10,12,15,21H,11,13-14H2
InChIKeyDVHDKPOBIFDYPU-UHFFFAOYSA-N
XLogP3.27
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 51086173
N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415339
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 122198913
1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979043
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
3-[(1-benzylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857456
1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957130

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 166184704) is 1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is c1ccc(Cn2cc(CNCc3nc(-c4ccccc4)no3)cn2)cc1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is DVHDKPOBIFDYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-3-7-16(8-4-1)14-25-15-17(12-22-25)11-21-13-19-23-20(24-26-19)18-9-5-2-6-10-18/h1-10,12,15,21H,11,13-14H2.
What are the key properties of 1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 345.41 g/mol, XLogP of 3.27, 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-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 166184704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).