[2-(1H-pyrazol-5-yl)phenyl]methanamine

C10H11N3 — CID 11446610

IUPAC[2-(1H-pyrazol-5-yl)phenyl]methanamine
SMILESNCc1ccccc1-c1ccn[nH]1
InChIInChI=1S/C10H11N3/c11-7-8-3-1-2-4-9(8)10-5-6-12-13-10/h1-6H,7,11H2,(H,12,13)
InChIKeyDYYVPJJPISKMEZ-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.54
Rot. Bonds2

About [2-(1H-pyrazol-5-yl)phenyl]methanamine

[2-(1H-pyrazol-5-yl)phenyl]methanamine (PubChem CID 11446610) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is [2-(1H-pyrazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(1H-pyrazol-5-yl)phenyl]methanamine
PubChem CID11446610
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name[2-(1H-pyrazol-5-yl)phenyl]methanamine
SMILESNCc1ccccc1-c1ccn[nH]1
InChIInChI=1S/C10H11N3/c11-7-8-3-1-2-4-9(8)10-5-6-12-13-10/h1-6H,7,11H2,(H,12,13)
InChIKeyDYYVPJJPISKMEZ-UHFFFAOYSA-N
XLogP1.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-pyrazol-5-yl)phenyl]methanamine?
The IUPAC name of [2-(1H-pyrazol-5-yl)phenyl]methanamine (CID 11446610) is [2-(1H-pyrazol-5-yl)phenyl]methanamine.
What is the SMILES notation for [2-(1H-pyrazol-5-yl)phenyl]methanamine?
The canonical SMILES for [2-(1H-pyrazol-5-yl)phenyl]methanamine is NCc1ccccc1-c1ccn[nH]1.
What is the InChIKey of [2-(1H-pyrazol-5-yl)phenyl]methanamine?
The InChIKey is DYYVPJJPISKMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-7-8-3-1-2-4-9(8)10-5-6-12-13-10/h1-6H,7,11H2,(H,12,13).
What are the key properties of [2-(1H-pyrazol-5-yl)phenyl]methanamine?
[2-(1H-pyrazol-5-yl)phenyl]methanamine has a molecular weight of 173.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-pyrazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 11446610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).