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

C10H11ClN4 — CID 107055878

IUPAC[3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
SMILESCc1ccn(-c2nccc(CN)c2Cl)n1
InChIInChI=1S/C10H11ClN4/c1-7-3-5-15(14-7)10-9(11)8(6-12)2-4-13-10/h2-5H,6,12H2,1H3
InChIKeyPJQYYBCQGKFPRJ-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.69
Rot. Bonds2

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

[3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine (PubChem CID 107055878) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is [3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
PubChem CID107055878
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name[3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
SMILESCc1ccn(-c2nccc(CN)c2Cl)n1
InChIInChI=1S/C10H11ClN4/c1-7-3-5-15(14-7)10-9(11)8(6-12)2-4-13-10/h2-5H,6,12H2,1H3
InChIKeyPJQYYBCQGKFPRJ-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 [3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine (CID 107055878) is [3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine is Cc1ccn(-c2nccc(CN)c2Cl)n1.
What is the InChIKey of [3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine?
The InChIKey is PJQYYBCQGKFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7-3-5-15(14-7)10-9(11)8(6-12)2-4-13-10/h2-5H,6,12H2,1H3.
What are the key properties of [3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine?
[3-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 [3-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 107055878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).