4-methylpyrazol-1-amine

C4H7N3 — CID 13483629

IUPAC4-methylpyrazol-1-amine
SMILESCc1cnn(N)c1
InChIInChI=1S/C4H7N3/c1-4-2-6-7(5)3-4/h2-3H,5H2,1H3
InChIKeyLHSIGJLMFSGRMV-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.09
Rot. Bonds

About 4-methylpyrazol-1-amine

4-methylpyrazol-1-amine (PubChem CID 13483629) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 4-methylpyrazol-1-amine.

Molecular Properties

Compound Name4-methylpyrazol-1-amine
PubChem CID13483629
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name4-methylpyrazol-1-amine
SMILESCc1cnn(N)c1
InChIInChI=1S/C4H7N3/c1-4-2-6-7(5)3-4/h2-3H,5H2,1H3
InChIKeyLHSIGJLMFSGRMV-UHFFFAOYSA-N
XLogP-0.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyrazol-1-amine?
The IUPAC name of 4-methylpyrazol-1-amine (CID 13483629) is 4-methylpyrazol-1-amine.
What is the SMILES notation for 4-methylpyrazol-1-amine?
The canonical SMILES for 4-methylpyrazol-1-amine is Cc1cnn(N)c1.
What is the InChIKey of 4-methylpyrazol-1-amine?
The InChIKey is LHSIGJLMFSGRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-4-2-6-7(5)3-4/h2-3H,5H2,1H3.
What are the key properties of 4-methylpyrazol-1-amine?
4-methylpyrazol-1-amine has a molecular weight of 97.12 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrazol-1-amine is sourced from PubChem (CID 13483629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).