[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine

C9H9ClN4 — CID 82507728

IUPAC[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2ncccc2Cl)c1
InChIInChI=1S/C9H9ClN4/c10-8-2-1-3-12-9(8)14-6-7(4-11)5-13-14/h1-3,5-6H,4,11H2
InChIKeyVBVGYJGUIOGVNL-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.38
Rot. Bonds2

About [1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine

[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine (PubChem CID 82507728) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is [1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine
PubChem CID82507728
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2ncccc2Cl)c1
InChIInChI=1S/C9H9ClN4/c10-8-2-1-3-12-9(8)14-6-7(4-11)5-13-14/h1-3,5-6H,4,11H2
InChIKeyVBVGYJGUIOGVNL-UHFFFAOYSA-N
XLogP1.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methyl-2-pyridinyl)pyrazol-4-yl]methanamine
CID 82504471
1-(3-chloro-2-pyridinyl)pyrazol-4-amine
CID 61175251
2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
CID 84785993
3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline
CID 63338157
2-(4-ethylpyrazol-1-yl)pyridin-3-amine
CID 84770779
[1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine
CID 84780964
[2-(4-methylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 60871926
(1-pyridin-4-ylpyrazol-4-yl)methanamine
CID 20983373
2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide
CID 166427521
(3-chloro-2-pyridinyl)methanamine;hydrochloride
CID 86346205
2-(3-bromopyrazol-1-yl)-3-chloropyridine
CID 174603551
3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine
CID 58336788

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine (CID 82507728) is [1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine is NCc1cnn(-c2ncccc2Cl)c1.
What is the InChIKey of [1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine?
The InChIKey is VBVGYJGUIOGVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-8-2-1-3-12-9(8)14-6-7(4-11)5-13-14/h1-3,5-6H,4,11H2.
What are the key properties of [1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine?
[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine has a molecular weight of 208.65 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 82507728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).