(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine

C17H19N5O — CID 97334226

IUPAC(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
SMILESC[C@H](NCc1noc(C2CC2)n1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H19N5O/c1-12(18-11-16-20-17(23-21-16)13-6-7-13)14-4-2-5-15(10-14)22-9-3-8-19-22/h2-5,8-10,12-13,18H,6-7,11H2,1H3/t12-/m0/s1
InChIKeyDHFUTLWORWYZLU-LBPRGKRZSA-N
MW309.37 g/mol
LogP2.98
Rot. Bonds6

About (1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine

(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine (PubChem CID 97334226) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
PubChem CID97334226
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
SMILESC[C@H](NCc1noc(C2CC2)n1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H19N5O/c1-12(18-11-16-20-17(23-21-16)13-6-7-13)14-4-2-5-15(10-14)22-9-3-8-19-22/h2-5,8-10,12-13,18H,6-7,11H2,1H3/t12-/m0/s1
InChIKeyDHFUTLWORWYZLU-LBPRGKRZSA-N
XLogP2.98
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine (CID 97334226) is (1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine is C[C@H](NCc1noc(C2CC2)n1)c1cccc(-n2cccn2)c1.
What is the InChIKey of (1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine?
The InChIKey is DHFUTLWORWYZLU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12(18-11-16-20-17(23-21-16)13-6-7-13)14-4-2-5-15(10-14)22-9-3-8-19-22/h2-5,8-10,12-13,18H,6-7,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine?
(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine has a molecular weight of 309.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 97334226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).