(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine

C20H24N4O — CID 95280025

IUPAC(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine
SMILESC[C@H](NCc1ccccc1OCc1ccccn1)[C@@H](C)n1cccn1
InChIInChI=1S/C20H24N4O/c1-16(17(2)24-13-7-12-23-24)22-14-18-8-3-4-10-20(18)25-15-19-9-5-6-11-21-19/h3-13,16-17,22H,14-15H2,1-2H3/t16-,17+/m0/s1
InChIKeyGCLIKTKKRYTTNG-DLBZAZTESA-N
MW336.44 g/mol
LogP3.60
Rot. Bonds8

About (2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine

(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine (PubChem CID 95280025) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine
PubChem CID95280025
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine
SMILESC[C@H](NCc1ccccc1OCc1ccccn1)[C@@H](C)n1cccn1
InChIInChI=1S/C20H24N4O/c1-16(17(2)24-13-7-12-23-24)22-14-18-8-3-4-10-20(18)25-15-19-9-5-6-11-21-19/h3-13,16-17,22H,14-15H2,1-2H3/t16-,17+/m0/s1
InChIKeyGCLIKTKKRYTTNG-DLBZAZTESA-N
XLogP3.60
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-4-ylmethoxy)phenyl]methyl]butan-2-amine
CID 95281267
(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 95274019
2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol
CID 111448684
N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
CID 95277041
N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
CID 95290372
(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95274249
(2R,3S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95759601
(2R,3S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95759561
2-methyl-3-(2-methylimidazol-1-yl)-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119122449
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444
(2S,3S)-3-pyrazol-1-yl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95277106
(2S,3S)-N-(1,3-benzodioxol-4-ylmethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95276384

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine?
The IUPAC name of (2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine (CID 95280025) is (2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine.
What is the SMILES notation for (2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine?
The canonical SMILES for (2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine is C[C@H](NCc1ccccc1OCc1ccccn1)[C@@H](C)n1cccn1.
What is the InChIKey of (2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine?
The InChIKey is GCLIKTKKRYTTNG-DLBZAZTESA-N. The full InChI is InChI=1S/C20H24N4O/c1-16(17(2)24-13-7-12-23-24)22-14-18-8-3-4-10-20(18)25-15-19-9-5-6-11-21-19/h3-13,16-17,22H,14-15H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine?
(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine has a molecular weight of 336.44 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine is sourced from PubChem (CID 95280025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).