5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine

C13H17ClN4 — CID 62891537

IUPAC5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(Cn2nc(C)cc2C)n1
InChIInChI=1S/C13H17ClN4/c1-4-15-13-6-5-11(14)12(16-13)8-18-10(3)7-9(2)17-18/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyGYLXQLLJZZQLTK-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.03
Rot. Bonds4

About 5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine

5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine (PubChem CID 62891537) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
PubChem CID62891537
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(Cn2nc(C)cc2C)n1
InChIInChI=1S/C13H17ClN4/c1-4-15-13-6-5-11(14)12(16-13)8-18-10(3)7-9(2)17-18/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyGYLXQLLJZZQLTK-UHFFFAOYSA-N
XLogP3.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62892904
1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione
CID 55127786
5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62886659
5-chloro-6-[(dipropylamino)methyl]-N-ethylpyridin-2-amine
CID 62891121
5-chloro-N-ethyl-6-[(N,3,5-trimethylanilino)methyl]pyridin-2-amine
CID 63501225
5-chloro-6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-ethylpyridin-2-amine
CID 104968876
5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine
CID 62887378
5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 55127587
1-ethyl-3,5-dimethylpyrazole
CID 565993
1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-5-fluoropyrimidine-2,4-dione
CID 63558194
5-chloro-N-ethyl-6-[[ethyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 62890418
1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 102620265

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine (CID 62891537) is 5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine is CCNc1ccc(Cl)c(Cn2nc(C)cc2C)n1.
What is the InChIKey of 5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The InChIKey is GYLXQLLJZZQLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-4-15-13-6-5-11(14)12(16-13)8-18-10(3)7-9(2)17-18/h5-7H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine?
5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine has a molecular weight of 264.76 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62891537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).