1-methyl-4-(oxiran-2-yl)pyrazol-5-amine

C6H9N3O — CID 123549949

IUPAC1-methyl-4-(oxiran-2-yl)pyrazol-5-amine
SMILESCn1ncc(C2CO2)c1N
InChIInChI=1S/C6H9N3O/c1-9-6(7)4(2-8-9)5-3-10-5/h2,5H,3,7H2,1H3
InChIKeyHVATVLHSGYCCBX-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.07
Rot. Bonds1

About 1-methyl-4-(oxiran-2-yl)pyrazol-5-amine

1-methyl-4-(oxiran-2-yl)pyrazol-5-amine (PubChem CID 123549949) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-methyl-4-(oxiran-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(oxiran-2-yl)pyrazol-5-amine
PubChem CID123549949
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-methyl-4-(oxiran-2-yl)pyrazol-5-amine
SMILESCn1ncc(C2CO2)c1N
InChIInChI=1S/C6H9N3O/c1-9-6(7)4(2-8-9)5-3-10-5/h2,5H,3,7H2,1H3
InChIKeyHVATVLHSGYCCBX-UHFFFAOYSA-N
XLogP0.07
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropyl-1-methylpyrazol-5-amine
CID 105422536
1-methyl-4-pyrrolidin-2-ylpyrazol-5-amine
CID 163948603
4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 65353841
4-bromo-1-methylpyrazol-5-amine;hydrobromide
CID 122156616
1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine
CID 117360416
4-(methoxymethyl)-1-methylpyrazol-5-amine
CID 84648635
4-ethyl-1-methylpyrazol-5-amine
CID 22456644
4-amino-5-(1,5-dimethylpyrazol-4-yl)-1,5-dihydroimidazol-2-one
CID 79961898
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-methylpyrazol-5-amine
CID 54939679
(4-cyclopropyl-1-methylpyrazol-5-yl)methanamine
CID 105422577
trans-(1R,2S)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 91647637
trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 124512028

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxiran-2-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(oxiran-2-yl)pyrazol-5-amine (CID 123549949) is 1-methyl-4-(oxiran-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(oxiran-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(oxiran-2-yl)pyrazol-5-amine is Cn1ncc(C2CO2)c1N.
What is the InChIKey of 1-methyl-4-(oxiran-2-yl)pyrazol-5-amine?
The InChIKey is HVATVLHSGYCCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9-6(7)4(2-8-9)5-3-10-5/h2,5H,3,7H2,1H3.
What are the key properties of 1-methyl-4-(oxiran-2-yl)pyrazol-5-amine?
1-methyl-4-(oxiran-2-yl)pyrazol-5-amine has a molecular weight of 139.16 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxiran-2-yl)pyrazol-5-amine is sourced from PubChem (CID 123549949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).