(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine

C14H20N4 — CID 95286279

IUPAC(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine
SMILESCc1cnn([C@H](C)[C@@H](C)NCc2ccncc2)c1
InChIInChI=1S/C14H20N4/c1-11-8-17-18(10-11)13(3)12(2)16-9-14-4-6-15-7-5-14/h4-8,10,12-13,16H,9H2,1-3H3/t12-,13-/m1/s1
InChIKeyXPQZZFUTIBSXCA-CHWSQXEVSA-N
MW244.34 g/mol
LogP2.33
Rot. Bonds5

About (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine

(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine (PubChem CID 95286279) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine
PubChem CID95286279
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine
SMILESCc1cnn([C@H](C)[C@@H](C)NCc2ccncc2)c1
InChIInChI=1S/C14H20N4/c1-11-8-17-18(10-11)13(3)12(2)16-9-14-4-6-15-7-5-14/h4-8,10,12-13,16H,9H2,1-3H3/t12-,13-/m1/s1
InChIKeyXPQZZFUTIBSXCA-CHWSQXEVSA-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,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95293122
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 95291194
4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95287606
(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine
CID 95288395
(2S,3S)-3-pyrazol-1-yl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95277106
(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
CID 95613951
(2S,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
CID 95613953
N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95288528
6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol
CID 95298588
2-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzonitrile
CID 95613985
(2R,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95291818
(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95291817

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine?
The IUPAC name of (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine (CID 95286279) is (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine.
What is the SMILES notation for (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine?
The canonical SMILES for (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine is Cc1cnn([C@H](C)[C@@H](C)NCc2ccncc2)c1.
What is the InChIKey of (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine?
The InChIKey is XPQZZFUTIBSXCA-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-8-17-18(10-11)13(3)12(2)16-9-14-4-6-15-7-5-14/h4-8,10,12-13,16H,9H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine?
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-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)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 95286279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).