formic acid;1-methylpyrazol-3-amine

C5H9N3O2 — CID 130345940

IUPACformic acid;1-methylpyrazol-3-amine
SMILESCn1ccc(N)n1.O=CO
InChIInChI=1S/C4H7N3.CH2O2/c1-7-3-2-4(5)6-7;2-1-3/h2-3H,1H3,(H2,5,6);1H,(H,2,3)
InChIKeyWOUADSOFTRCEEO-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.30
Rot. Bonds

About formic acid;1-methylpyrazol-3-amine

formic acid;1-methylpyrazol-3-amine (PubChem CID 130345940) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is formic acid;1-methylpyrazol-3-amine.

Molecular Properties

Compound Nameformic acid;1-methylpyrazol-3-amine
PubChem CID130345940
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Nameformic acid;1-methylpyrazol-3-amine
SMILESCn1ccc(N)n1.O=CO
InChIInChI=1S/C4H7N3.CH2O2/c1-7-3-2-4(5)6-7;2-1-3/h2-3H,1H3,(H2,5,6);1H,(H,2,3)
InChIKeyWOUADSOFTRCEEO-UHFFFAOYSA-N
XLogP-0.30
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;1-methylpyrazol-3-amine?
The IUPAC name of formic acid;1-methylpyrazol-3-amine (CID 130345940) is formic acid;1-methylpyrazol-3-amine.
What is the SMILES notation for formic acid;1-methylpyrazol-3-amine?
The canonical SMILES for formic acid;1-methylpyrazol-3-amine is Cn1ccc(N)n1.O=CO.
What is the InChIKey of formic acid;1-methylpyrazol-3-amine?
The InChIKey is WOUADSOFTRCEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.CH2O2/c1-7-3-2-4(5)6-7;2-1-3/h2-3H,1H3,(H2,5,6);1H,(H,2,3).
What are the key properties of formic acid;1-methylpyrazol-3-amine?
formic acid;1-methylpyrazol-3-amine has a molecular weight of 143.15 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-methylpyrazol-3-amine is sourced from PubChem (CID 130345940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).