N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine

C13H18N4O — CID 79778871

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine
SMILESCOc1c(C)cnc(CNc2ccn(C)n2)c1C
InChIInChI=1S/C13H18N4O/c1-9-7-14-11(10(2)13(9)18-4)8-15-12-5-6-17(3)16-12/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyIZQBTKFCHFLSER-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.05
Rot. Bonds4

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine (PubChem CID 79778871) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine
PubChem CID79778871
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine
SMILESCOc1c(C)cnc(CNc2ccn(C)n2)c1C
InChIInChI=1S/C13H18N4O/c1-9-7-14-11(10(2)13(9)18-4)8-15-12-5-6-17(3)16-12/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyIZQBTKFCHFLSER-UHFFFAOYSA-N
XLogP2.05
TPSA51.97 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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine (CID 79778871) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine is COc1c(C)cnc(CNc2ccn(C)n2)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is IZQBTKFCHFLSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-7-14-11(10(2)13(9)18-4)8-15-12-5-6-17(3)16-12/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 246.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 79778871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).