6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine

C11H13ClN4 — CID 106758003

IUPAC6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1ccc(Cl)nc1)c1ccnn1C
InChIInChI=1S/C11H13ClN4/c1-8(10-5-6-14-16(10)2)15-9-3-4-11(12)13-7-9/h3-8,15H,1-2H3
InChIKeyBYSORICRGHVHMK-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.64
Rot. Bonds3

About 6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine

6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine (PubChem CID 106758003) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
PubChem CID106758003
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1ccc(Cl)nc1)c1ccnn1C
InChIInChI=1S/C11H13ClN4/c1-8(10-5-6-14-16(10)2)15-9-3-4-11(12)13-7-9/h3-8,15H,1-2H3
InChIKeyBYSORICRGHVHMK-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756900
4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756876
6-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106757206
6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 114049325
3-chloro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756808
2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756879
5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 114051921
1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine
CID 106757614
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine
CID 106757117
N-[1-(2-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 106756822
3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756818
4-bromo-2,3-dichloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107787459

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine?
The IUPAC name of 6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine (CID 106758003) is 6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine is CC(Nc1ccc(Cl)nc1)c1ccnn1C.
What is the InChIKey of 6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine?
The InChIKey is BYSORICRGHVHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-8(10-5-6-14-16(10)2)15-9-3-4-11(12)13-7-9/h3-8,15H,1-2H3.
What are the key properties of 6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine?
6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine has a molecular weight of 236.71 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 106758003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).