(3S)-3-methylpyrazol-3-amine

C4H7N3 — CID 175312913

IUPAC(3S)-3-methylpyrazol-3-amine
SMILESC[C@@]1(N)C=CN=N1
InChIInChI=1S/C4H7N3/c1-4(5)2-3-6-7-4/h2-3H,5H2,1H3/t4-/m0/s1
InChIKeyDAXNDJJPODLWPA-BYPYZUCNSA-N
MW97.12 g/mol
LogP0.64
Rot. Bonds

About (3S)-3-methylpyrazol-3-amine

(3S)-3-methylpyrazol-3-amine (PubChem CID 175312913) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is (3S)-3-methylpyrazol-3-amine.

Molecular Properties

Compound Name(3S)-3-methylpyrazol-3-amine
PubChem CID175312913
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name(3S)-3-methylpyrazol-3-amine
SMILESC[C@@]1(N)C=CN=N1
InChIInChI=1S/C4H7N3/c1-4(5)2-3-6-7-4/h2-3H,5H2,1H3/t4-/m0/s1
InChIKeyDAXNDJJPODLWPA-BYPYZUCNSA-N
XLogP0.64
TPSA50.74 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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylpyrazol-3-amine?
The IUPAC name of (3S)-3-methylpyrazol-3-amine (CID 175312913) is (3S)-3-methylpyrazol-3-amine.
What is the SMILES notation for (3S)-3-methylpyrazol-3-amine?
The canonical SMILES for (3S)-3-methylpyrazol-3-amine is C[C@@]1(N)C=CN=N1.
What is the InChIKey of (3S)-3-methylpyrazol-3-amine?
The InChIKey is DAXNDJJPODLWPA-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H7N3/c1-4(5)2-3-6-7-4/h2-3H,5H2,1H3/t4-/m0/s1.
What are the key properties of (3S)-3-methylpyrazol-3-amine?
(3S)-3-methylpyrazol-3-amine has a molecular weight of 97.12 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylpyrazol-3-amine is sourced from PubChem (CID 175312913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).