1-methyl-3H-pyrazol-2-amine

C4H9N3 — CID 67314030

IUPAC1-methyl-3H-pyrazol-2-amine
SMILESCN1C=CCN1N
InChIInChI=1S/C4H9N3/c1-6-3-2-4-7(6)5/h2-3H,4-5H2,1H3
InChIKeyWGLDHLKXKPMPOJ-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.46
Rot. Bonds

About 1-methyl-3H-pyrazol-2-amine

1-methyl-3H-pyrazol-2-amine (PubChem CID 67314030) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 1-methyl-3H-pyrazol-2-amine.

Molecular Properties

Compound Name1-methyl-3H-pyrazol-2-amine
PubChem CID67314030
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name1-methyl-3H-pyrazol-2-amine
SMILESCN1C=CCN1N
InChIInChI=1S/C4H9N3/c1-6-3-2-4-7(6)5/h2-3H,4-5H2,1H3
InChIKeyWGLDHLKXKPMPOJ-UHFFFAOYSA-N
XLogP-0.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3H-pyrazol-2-amine?
The IUPAC name of 1-methyl-3H-pyrazol-2-amine (CID 67314030) is 1-methyl-3H-pyrazol-2-amine.
What is the SMILES notation for 1-methyl-3H-pyrazol-2-amine?
The canonical SMILES for 1-methyl-3H-pyrazol-2-amine is CN1C=CCN1N.
What is the InChIKey of 1-methyl-3H-pyrazol-2-amine?
The InChIKey is WGLDHLKXKPMPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-6-3-2-4-7(6)5/h2-3H,4-5H2,1H3.
What are the key properties of 1-methyl-3H-pyrazol-2-amine?
1-methyl-3H-pyrazol-2-amine has a molecular weight of 99.14 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3H-pyrazol-2-amine is sourced from PubChem (CID 67314030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).