(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine

C12H16N4 — CID 79479907

IUPAC(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NCc1ccnn1C)c1cccnc1
InChIInChI=1S/C12H16N4/c1-10(11-4-3-6-13-8-11)14-9-12-5-7-15-16(12)2/h3-8,10,14H,9H2,1-2H3/t10-/m0/s1
InChIKeyRIFATGBZKXZQGG-JTQLQIEISA-N
MW216.29 g/mol
LogP1.67
Rot. Bonds4

About (1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine

(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 79479907) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID79479907
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NCc1ccnn1C)c1cccnc1
InChIInChI=1S/C12H16N4/c1-10(11-4-3-6-13-8-11)14-9-12-5-7-15-16(12)2/h3-8,10,14H,9H2,1-2H3/t10-/m0/s1
InChIKeyRIFATGBZKXZQGG-JTQLQIEISA-N
XLogP1.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine with MolForge

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Related Compounds

1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 66411298
1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43681733
N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81297961
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 124569878
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 106757978
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 43524835
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine (CID 79479907) is (1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine is C[C@H](NCc1ccnn1C)c1cccnc1.
What is the InChIKey of (1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is RIFATGBZKXZQGG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4/c1-10(11-4-3-6-13-8-11)14-9-12-5-7-15-16(12)2/h3-8,10,14H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine?
(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 79479907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).