N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine

C11H14N4O — CID 79778477

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine
SMILESCOc1cccc(CNc2ccn(C)n2)n1
InChIInChI=1S/C11H14N4O/c1-15-7-6-10(14-15)12-8-9-4-3-5-11(13-9)16-2/h3-7H,8H2,1-2H3,(H,12,14)
InChIKeyVCTOGZFBKQIIJV-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.44
Rot. Bonds4

About N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine

N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine (PubChem CID 79778477) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine
PubChem CID79778477
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine
SMILESCOc1cccc(CNc2ccn(C)n2)n1
InChIInChI=1S/C11H14N4O/c1-15-7-6-10(14-15)12-8-9-4-3-5-11(13-9)16-2/h3-7H,8H2,1-2H3,(H,12,14)
InChIKeyVCTOGZFBKQIIJV-UHFFFAOYSA-N
XLogP1.44
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine (CID 79778477) is N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine is COc1cccc(CNc2ccn(C)n2)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is VCTOGZFBKQIIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-7-6-10(14-15)12-8-9-4-3-5-11(13-9)16-2/h3-7H,8H2,1-2H3,(H,12,14).
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine?
N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 79778477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).