(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine

C13H18N4 — CID 95274019

IUPAC(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
SMILESC[C@@H](NCc1ccccn1)[C@H](C)n1cccn1
InChIInChI=1S/C13H18N4/c1-11(12(2)17-9-5-8-16-17)15-10-13-6-3-4-7-14-13/h3-9,11-12,15H,10H2,1-2H3/t11-,12+/m1/s1
InChIKeyMDHZUNCTCSGVSG-NEPJUHHUSA-N
MW230.32 g/mol
LogP2.02
Rot. Bonds5

About (2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine

(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine (PubChem CID 95274019) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is (2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
PubChem CID95274019
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
SMILESC[C@@H](NCc1ccccn1)[C@H](C)n1cccn1
InChIInChI=1S/C13H18N4/c1-11(12(2)17-9-5-8-16-17)15-10-13-6-3-4-7-14-13/h3-9,11-12,15H,10H2,1-2H3/t11-,12+/m1/s1
InChIKeyMDHZUNCTCSGVSG-NEPJUHHUSA-N
XLogP2.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine
CID 95280025
(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95274249
(2S,3S)-3-pyrazol-1-yl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95277106
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494
(2S,3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95277581
(2R,3S)-N-(2-phenylethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95346375
(2S,3R)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95281606
(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol
CID 97238015
(2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95329802
(2R,3S)-N-[(5-chlorofuran-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276291
(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276955

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine?
The IUPAC name of (2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine (CID 95274019) is (2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for (2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine?
The canonical SMILES for (2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine is C[C@@H](NCc1ccccn1)[C@H](C)n1cccn1.
What is the InChIKey of (2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine?
The InChIKey is MDHZUNCTCSGVSG-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H18N4/c1-11(12(2)17-9-5-8-16-17)15-10-13-6-3-4-7-14-13/h3-9,11-12,15H,10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine?
(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine has a molecular weight of 230.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 95274019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).