N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine

C18H25N3O2 — CID 45252995

IUPACN-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine
SMILESCOc1ccc(-n2ncc(C(C)NC3CCOCC3)c2C)cc1
InChIInChI=1S/C18H25N3O2/c1-13(20-15-8-10-23-11-9-15)18-12-19-21(14(18)2)16-4-6-17(22-3)7-5-16/h4-7,12-13,15,20H,8-11H2,1-3H3
InChIKeyVHDUZIVTGDCOLZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.02
Rot. Bonds5

About N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine

N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine (PubChem CID 45252995) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine
PubChem CID45252995
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine
SMILESCOc1ccc(-n2ncc(C(C)NC3CCOCC3)c2C)cc1
InChIInChI=1S/C18H25N3O2/c1-13(20-15-8-10-23-11-9-15)18-12-19-21(14(18)2)16-4-6-17(22-3)7-5-16/h4-7,12-13,15,20H,8-11H2,1-3H3
InChIKeyVHDUZIVTGDCOLZ-UHFFFAOYSA-N
XLogP3.02
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine?
The IUPAC name of N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine (CID 45252995) is N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine.
What is the SMILES notation for N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine?
The canonical SMILES for N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine is COc1ccc(-n2ncc(C(C)NC3CCOCC3)c2C)cc1.
What is the InChIKey of N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine?
The InChIKey is VHDUZIVTGDCOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(20-15-8-10-23-11-9-15)18-12-19-21(14(18)2)16-4-6-17(22-3)7-5-16/h4-7,12-13,15,20H,8-11H2,1-3H3.
What are the key properties of N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine?
N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine has a molecular weight of 315.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine is sourced from PubChem (CID 45252995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).