N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

C15H23N5O — CID 139019396

IUPACN-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(C(C)NCc2cn(C)nc2C2CCCC2)n1
InChIInChI=1S/C15H23N5O/c1-10(15-17-11(2)19-21-15)16-8-13-9-20(3)18-14(13)12-6-4-5-7-12/h9-10,12,16H,4-8H2,1-3H3
InChIKeyPYSRQTJHNSRHHI-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.62
Rot. Bonds5

About N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 139019396) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID139019396
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(C(C)NCc2cn(C)nc2C2CCCC2)n1
InChIInChI=1S/C15H23N5O/c1-10(15-17-11(2)19-21-15)16-8-13-9-20(3)18-14(13)12-6-4-5-7-12/h9-10,12,16H,4-8H2,1-3H3
InChIKeyPYSRQTJHNSRHHI-UHFFFAOYSA-N
XLogP2.62
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 139019396) is N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is Cc1noc(C(C)NCc2cn(C)nc2C2CCCC2)n1.
What is the InChIKey of N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is PYSRQTJHNSRHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10(15-17-11(2)19-21-15)16-8-13-9-20(3)18-14(13)12-6-4-5-7-12/h9-10,12,16H,4-8H2,1-3H3.
What are the key properties of N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 139019396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).