6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine

C10H11ClN4 — CID 79232417

IUPAC6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine
SMILESCc1nn(Cc2cccc(N)n2)cc1Cl
InChIInChI=1S/C10H11ClN4/c1-7-9(11)6-15(14-7)5-8-3-2-4-10(12)13-8/h2-4,6H,5H2,1H3,(H2,12,13)
InChIKeyKSQWUGLSMUBNCG-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.87
Rot. Bonds2

About 6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine

6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine (PubChem CID 79232417) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine
PubChem CID79232417
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine
SMILESCc1nn(Cc2cccc(N)n2)cc1Cl
InChIInChI=1S/C10H11ClN4/c1-7-9(11)6-15(14-7)5-8-3-2-4-10(12)13-8/h2-4,6H,5H2,1H3,(H2,12,13)
InChIKeyKSQWUGLSMUBNCG-UHFFFAOYSA-N
XLogP1.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.87
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-methylpyrazol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine (CID 79232417) is 6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine is Cc1nn(Cc2cccc(N)n2)cc1Cl.
What is the InChIKey of 6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine?
The InChIKey is KSQWUGLSMUBNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7-9(11)6-15(14-7)5-8-3-2-4-10(12)13-8/h2-4,6H,5H2,1H3,(H2,12,13).
What are the key properties of 6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine?
6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine has a molecular weight of 222.68 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79232417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).