[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine

C10H11ClN4 — CID 114927427

IUPAC[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
SMILESCc1ccn(-c2cc(CN)c(Cl)cn2)n1
InChIInChI=1S/C10H11ClN4/c1-7-2-3-15(14-7)10-4-8(5-12)9(11)6-13-10/h2-4,6H,5,12H2,1H3
InChIKeyOEVJWCJQMOJFJP-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.69
Rot. Bonds2

About [5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine

[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine (PubChem CID 114927427) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is [5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
PubChem CID114927427
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
SMILESCc1ccn(-c2cc(CN)c(Cl)cn2)n1
InChIInChI=1S/C10H11ClN4/c1-7-2-3-15(14-7)10-4-8(5-12)9(11)6-13-10/h2-4,6H,5,12H2,1H3
InChIKeyOEVJWCJQMOJFJP-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine (CID 114927427) is [5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine is Cc1ccn(-c2cc(CN)c(Cl)cn2)n1.
What is the InChIKey of [5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine?
The InChIKey is OEVJWCJQMOJFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7-2-3-15(14-7)10-4-8(5-12)9(11)6-13-10/h2-4,6H,5,12H2,1H3.
What are the key properties of [5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine?
[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine has a molecular weight of 222.68 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 114927427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).