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

C10H11ClN4 — CID 79251981

IUPAC2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine
SMILESCc1nn(Cc2cc(N)ccn2)cc1Cl
InChIInChI=1S/C10H11ClN4/c1-7-10(11)6-15(14-7)5-9-4-8(12)2-3-13-9/h2-4,6H,5H2,1H3,(H2,12,13)
InChIKeyWPMBZHQXSXHISF-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.87
Rot. Bonds2

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

2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine (PubChem CID 79251981) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine
PubChem CID79251981
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine
SMILESCc1nn(Cc2cc(N)ccn2)cc1Cl
InChIInChI=1S/C10H11ClN4/c1-7-10(11)6-15(14-7)5-9-4-8(12)2-3-13-9/h2-4,6H,5H2,1H3,(H2,12,13)
InChIKeyWPMBZHQXSXHISF-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 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine (CID 79251981) is 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine is Cc1nn(Cc2cc(N)ccn2)cc1Cl.
What is the InChIKey of 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine?
The InChIKey is WPMBZHQXSXHISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7-10(11)6-15(14-7)5-9-4-8(12)2-3-13-9/h2-4,6H,5H2,1H3,(H2,12,13).
What are the key properties of 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine?
2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-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 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79251981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).