1-phenylpyrazol-3-amine

C9H9N3 — CID 594320

IUPAC1-phenylpyrazol-3-amine
SMILESNc1ccn(-c2ccccc2)n1
InChIInChI=1S/C9H9N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H,(H2,10,11)
InChIKeyBQQFSUKXGGGGLV-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.45
Rot. Bonds1

About 1-phenylpyrazol-3-amine

1-phenylpyrazol-3-amine (PubChem CID 594320) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-phenylpyrazol-3-amine.

Molecular Properties

Compound Name1-phenylpyrazol-3-amine
PubChem CID594320
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name1-phenylpyrazol-3-amine
SMILESNc1ccn(-c2ccccc2)n1
InChIInChI=1S/C9H9N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H,(H2,10,11)
InChIKeyBQQFSUKXGGGGLV-UHFFFAOYSA-N
XLogP1.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrazol-3-amine?
The IUPAC name of 1-phenylpyrazol-3-amine (CID 594320) is 1-phenylpyrazol-3-amine.
What is the SMILES notation for 1-phenylpyrazol-3-amine?
The canonical SMILES for 1-phenylpyrazol-3-amine is Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-phenylpyrazol-3-amine?
The InChIKey is BQQFSUKXGGGGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H,(H2,10,11).
What are the key properties of 1-phenylpyrazol-3-amine?
1-phenylpyrazol-3-amine has a molecular weight of 159.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrazol-3-amine is sourced from PubChem (CID 594320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).