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

C12H15ClN4 — CID 114049325

IUPAC6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
SMILESCc1nc(Cl)ccc1NC(C)c1ccnn1C
InChIInChI=1S/C12H15ClN4/c1-8-10(4-5-12(13)16-8)15-9(2)11-6-7-14-17(11)3/h4-7,9,15H,1-3H3
InChIKeyGIUWLJGCBKQMPV-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.95
Rot. Bonds3

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

6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine (PubChem CID 114049325) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
PubChem CID114049325
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
SMILESCc1nc(Cl)ccc1NC(C)c1ccnn1C
InChIInChI=1S/C12H15ClN4/c1-8-10(4-5-12(13)16-8)15-9(2)11-6-7-14-17(11)3/h4-7,9,15H,1-3H3
InChIKeyGIUWLJGCBKQMPV-UHFFFAOYSA-N
XLogP2.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.95
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

2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756879
4-bromo-2,3-dichloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107787459
3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756818
6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106758003
2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756779
2-bromo-5-chloro-4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106758070
3-chloro-4-[1-(2-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 107807141
6-chloro-2-methyl-N-(3-methylbutan-2-yl)pyridin-3-amine
CID 107272250
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine
CID 114049353
4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756900
5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 114051921
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 107266789

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine?
The IUPAC name of 6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine (CID 114049325) is 6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine is Cc1nc(Cl)ccc1NC(C)c1ccnn1C.
What is the InChIKey of 6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine?
The InChIKey is GIUWLJGCBKQMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-8-10(4-5-12(13)16-8)15-9(2)11-6-7-14-17(11)3/h4-7,9,15H,1-3H3.
What are the key properties of 6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine?
6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine has a molecular weight of 250.73 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 114049325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).