1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine

C11H13ClN4 — CID 82876697

IUPAC1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CC(N)c2ccc(Cl)cn2)n1
InChIInChI=1S/C11H13ClN4/c1-16-5-4-9(15-16)6-10(13)11-3-2-8(12)7-14-11/h2-5,7,10H,6,13H2,1H3
InChIKeyPKJLMJGQEAUAAD-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.71
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine

1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 82876697) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID82876697
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CC(N)c2ccc(Cl)cn2)n1
InChIInChI=1S/C11H13ClN4/c1-16-5-4-9(15-16)6-10(13)11-3-2-8(12)7-14-11/h2-5,7,10H,6,13H2,1H3
InChIKeyPKJLMJGQEAUAAD-UHFFFAOYSA-N
XLogP1.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105175038
2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200453
2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923732
1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025612
5-chloro-2-(1-methylpyrazol-3-yl)pyridine
CID 162761078
3-amino-3-(5-chloro-2-pyridinyl)propanenitrile
CID 55295263
2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine
CID 82878134
1-(2-bromo-3,4-difluorophenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107538743
1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877940
[1-(5-bromo-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105267716
1-(5-fluoro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870351
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025301

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine (CID 82876697) is 1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine is Cn1ccc(CC(N)c2ccc(Cl)cn2)n1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is PKJLMJGQEAUAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-16-5-4-9(15-16)6-10(13)11-3-2-8(12)7-14-11/h2-5,7,10H,6,13H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine?
1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 236.71 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82876697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).