(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine

C7H13N3O — CID 28965606

IUPAC(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine
SMILESCOc1c(CN)c(C)nn1C
InChIInChI=1S/C7H13N3O/c1-5-6(4-8)7(11-3)10(2)9-5/h4,8H2,1-3H3
InChIKeyKPSCRVKNEQXWFI-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.20
Rot. Bonds2

About (5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine

(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine (PubChem CID 28965606) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine
PubChem CID28965606
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine
SMILESCOc1c(CN)c(C)nn1C
InChIInChI=1S/C7H13N3O/c1-5-6(4-8)7(11-3)10(2)9-5/h4,8H2,1-3H3
InChIKeyKPSCRVKNEQXWFI-UHFFFAOYSA-N
XLogP0.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine?
The IUPAC name of (5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine (CID 28965606) is (5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine?
The canonical SMILES for (5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine is COc1c(CN)c(C)nn1C.
What is the InChIKey of (5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine?
The InChIKey is KPSCRVKNEQXWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-6(4-8)7(11-3)10(2)9-5/h4,8H2,1-3H3.
What are the key properties of (5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine?
(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine has a molecular weight of 155.20 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 28965606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).