(5-methoxy-1-methylpyrazol-4-yl)methanamine

C6H11N3O — CID 82594286

IUPAC(5-methoxy-1-methylpyrazol-4-yl)methanamine
SMILESCOc1c(CN)cnn1C
InChIInChI=1S/C6H11N3O/c1-9-6(10-2)5(3-7)4-8-9/h4H,3,7H2,1-2H3
InChIKeyMNQRFKHSDYAOMK-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.11
Rot. Bonds2

About (5-methoxy-1-methylpyrazol-4-yl)methanamine

(5-methoxy-1-methylpyrazol-4-yl)methanamine (PubChem CID 82594286) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (5-methoxy-1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-1-methylpyrazol-4-yl)methanamine
PubChem CID82594286
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(5-methoxy-1-methylpyrazol-4-yl)methanamine
SMILESCOc1c(CN)cnn1C
InChIInChI=1S/C6H11N3O/c1-9-6(10-2)5(3-7)4-8-9/h4H,3,7H2,1-2H3
InChIKeyMNQRFKHSDYAOMK-UHFFFAOYSA-N
XLogP-0.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (5-methoxy-1-methylpyrazol-4-yl)methanamine (CID 82594286) is (5-methoxy-1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (5-methoxy-1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (5-methoxy-1-methylpyrazol-4-yl)methanamine is COc1c(CN)cnn1C.
What is the InChIKey of (5-methoxy-1-methylpyrazol-4-yl)methanamine?
The InChIKey is MNQRFKHSDYAOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-9-6(10-2)5(3-7)4-8-9/h4H,3,7H2,1-2H3.
What are the key properties of (5-methoxy-1-methylpyrazol-4-yl)methanamine?
(5-methoxy-1-methylpyrazol-4-yl)methanamine has a molecular weight of 141.17 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 82594286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).