(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine

C10H12N4 — CID 79001910

IUPAC(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C10H12N4/c1-8(11)9-3-4-10(12-7-9)14-6-2-5-13-14/h2-8H,11H2,1H3/t8-/m0/s1
InChIKeyPUWNLOLVZFJZFM-QMMMGPOBSA-N
MW188.23 g/mol
LogP1.29
Rot. Bonds2

About (1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine

(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine (PubChem CID 79001910) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is (1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine
PubChem CID79001910
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C10H12N4/c1-8(11)9-3-4-10(12-7-9)14-6-2-5-13-14/h2-8H,11H2,1H3/t8-/m0/s1
InChIKeyPUWNLOLVZFJZFM-QMMMGPOBSA-N
XLogP1.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine (CID 79001910) is (1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine is C[C@H](N)c1ccc(-n2cccn2)nc1.
What is the InChIKey of (1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine?
The InChIKey is PUWNLOLVZFJZFM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N4/c1-8(11)9-3-4-10(12-7-9)14-6-2-5-13-14/h2-8H,11H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine?
(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine has a molecular weight of 188.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine is sourced from PubChem (CID 79001910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).