1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine

C13H18N4 — CID 80634551

IUPAC1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine
SMILESCc1cnn(-c2ncc(CC(C)N)cc2C)c1
InChIInChI=1S/C13H18N4/c1-9-6-16-17(8-9)13-10(2)4-12(7-15-13)5-11(3)14/h4,6-8,11H,5,14H2,1-3H3
InChIKeyQHOWGCNZZUDJNP-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.77
Rot. Bonds3

About 1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine

1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine (PubChem CID 80634551) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine
PubChem CID80634551
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine
SMILESCc1cnn(-c2ncc(CC(C)N)cc2C)c1
InChIInChI=1S/C13H18N4/c1-9-6-16-17(8-9)13-10(2)4-12(7-15-13)5-11(3)14/h4,6-8,11H,5,14H2,1-3H3
InChIKeyQHOWGCNZZUDJNP-UHFFFAOYSA-N
XLogP1.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine (CID 80634551) is 1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine is Cc1cnn(-c2ncc(CC(C)N)cc2C)c1.
What is the InChIKey of 1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine?
The InChIKey is QHOWGCNZZUDJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-6-16-17(8-9)13-10(2)4-12(7-15-13)5-11(3)14/h4,6-8,11H,5,14H2,1-3H3.
What are the key properties of 1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine?
1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80634551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).