[2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine

C13H18N4O — CID 114274175

IUPAC[2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1nc(-n2cc(OC(C)C)cn2)ccc1CN
InChIInChI=1S/C13H18N4O/c1-9(2)18-12-7-15-17(8-12)13-5-4-11(6-14)10(3)16-13/h4-5,7-9H,6,14H2,1-3H3
InChIKeyMWXUFIATRPVBPP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.82
Rot. Bonds4

About [2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine

[2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine (PubChem CID 114274175) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine
PubChem CID114274175
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1nc(-n2cc(OC(C)C)cn2)ccc1CN
InChIInChI=1S/C13H18N4O/c1-9(2)18-12-7-15-17(8-12)13-5-4-11(6-14)10(3)16-13/h4-5,7-9H,6,14H2,1-3H3
InChIKeyMWXUFIATRPVBPP-UHFFFAOYSA-N
XLogP1.82
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine (CID 114274175) is [2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine is Cc1nc(-n2cc(OC(C)C)cn2)ccc1CN.
What is the InChIKey of [2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine?
The InChIKey is MWXUFIATRPVBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(2)18-12-7-15-17(8-12)13-5-4-11(6-14)10(3)16-13/h4-5,7-9H,6,14H2,1-3H3.
What are the key properties of [2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine?
[2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(4-propan-2-yloxypyrazol-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 114274175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).