(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine

C14H20N4 — CID 95274249

IUPAC(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESCc1ncccc1CN[C@H](C)[C@@H](C)n1cccn1
InChIInChI=1S/C14H20N4/c1-11(13(3)18-9-5-8-17-18)16-10-14-6-4-7-15-12(14)2/h4-9,11,13,16H,10H2,1-3H3/t11-,13-/m1/s1
InChIKeyALHJVZMXBWSESZ-DGCLKSJQSA-N
MW244.34 g/mol
LogP2.33
Rot. Bonds5

About (2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine

(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine (PubChem CID 95274249) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
PubChem CID95274249
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESCc1ncccc1CN[C@H](C)[C@@H](C)n1cccn1
InChIInChI=1S/C14H20N4/c1-11(13(3)18-9-5-8-17-18)16-10-14-6-4-7-15-12(14)2/h4-9,11,13,16H,10H2,1-3H3/t11-,13-/m1/s1
InChIKeyALHJVZMXBWSESZ-DGCLKSJQSA-N
XLogP2.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 95274019
(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine
CID 95280025
(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
(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-4-ylmethoxy)phenyl]methyl]butan-2-amine
CID 95281267
N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine
CID 78928581
(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276363
(2R,3S)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95286014
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,3S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95759601
(2R,3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276405

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine (CID 95274249) is (2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine is Cc1ncccc1CN[C@H](C)[C@@H](C)n1cccn1.
What is the InChIKey of (2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The InChIKey is ALHJVZMXBWSESZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(13(3)18-9-5-8-17-18)16-10-14-6-4-7-15-12(14)2/h4-9,11,13,16H,10H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of (2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine?
(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 95274249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).