6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine

C11H13ClN4 — CID 79176068

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine
SMILESCc1cc(-n2nc(C)c(Cl)c2C)ncc1N
InChIInChI=1S/C11H13ClN4/c1-6-4-10(14-5-9(6)13)16-8(3)11(12)7(2)15-16/h4-5H,13H2,1-3H3
InChIKeyVUJCGTOEXAQRLN-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.43
Rot. Bonds1

About 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine (PubChem CID 79176068) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine
PubChem CID79176068
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine
SMILESCc1cc(-n2nc(C)c(Cl)c2C)ncc1N
InChIInChI=1S/C11H13ClN4/c1-6-4-10(14-5-9(6)13)16-8(3)11(12)7(2)15-16/h4-5H,13H2,1-3H3
InChIKeyVUJCGTOEXAQRLN-UHFFFAOYSA-N
XLogP2.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine (CID 79176068) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine is Cc1cc(-n2nc(C)c(Cl)c2C)ncc1N.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine?
The InChIKey is VUJCGTOEXAQRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-6-4-10(14-5-9(6)13)16-8(3)11(12)7(2)15-16/h4-5H,13H2,1-3H3.
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine has a molecular weight of 236.71 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine is sourced from PubChem (CID 79176068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).