4-methoxy-5-methyl-1H-pyrazol-3-amine

C5H9N3O — CID 45078788

IUPAC4-methoxy-5-methyl-1H-pyrazol-3-amine
SMILESCOc1c(N)n[nH]c1C
InChIInChI=1S/C5H9N3O/c1-3-4(9-2)5(6)8-7-3/h1-2H3,(H3,6,7,8)
InChIKeyUSPFJFCSUVMOCH-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.31
Rot. Bonds1

About 4-methoxy-5-methyl-1H-pyrazol-3-amine

4-methoxy-5-methyl-1H-pyrazol-3-amine (PubChem CID 45078788) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-methoxy-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-methoxy-5-methyl-1H-pyrazol-3-amine
PubChem CID45078788
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-methoxy-5-methyl-1H-pyrazol-3-amine
SMILESCOc1c(N)n[nH]c1C
InChIInChI=1S/C5H9N3O/c1-3-4(9-2)5(6)8-7-3/h1-2H3,(H3,6,7,8)
InChIKeyUSPFJFCSUVMOCH-UHFFFAOYSA-N
XLogP0.31
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-methoxy-5-methyl-1H-pyrazol-3-amine (CID 45078788) is 4-methoxy-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-methoxy-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-methoxy-5-methyl-1H-pyrazol-3-amine is COc1c(N)n[nH]c1C.
What is the InChIKey of 4-methoxy-5-methyl-1H-pyrazol-3-amine?
The InChIKey is USPFJFCSUVMOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-4(9-2)5(6)8-7-3/h1-2H3,(H3,6,7,8).
What are the key properties of 4-methoxy-5-methyl-1H-pyrazol-3-amine?
4-methoxy-5-methyl-1H-pyrazol-3-amine has a molecular weight of 127.15 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 45078788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).