(4-pyrazol-1-ylphenyl)methanamine

C10H11N3 — CID 2776483

IUPAC(4-pyrazol-1-ylphenyl)methanamine
SMILESNCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C10H11N3/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8,11H2
InChIKeyAVKMXPDYQVKSFF-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.33
Rot. Bonds2

About (4-pyrazol-1-ylphenyl)methanamine

(4-pyrazol-1-ylphenyl)methanamine (PubChem CID 2776483) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methanamine
PubChem CID2776483
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name(4-pyrazol-1-ylphenyl)methanamine
SMILESNCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C10H11N3/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8,11H2
InChIKeyAVKMXPDYQVKSFF-UHFFFAOYSA-N
XLogP1.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of (4-pyrazol-1-ylphenyl)methanamine (CID 2776483) is (4-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methanamine is NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methanamine?
The InChIKey is AVKMXPDYQVKSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8,11H2.
What are the key properties of (4-pyrazol-1-ylphenyl)methanamine?
(4-pyrazol-1-ylphenyl)methanamine has a molecular weight of 173.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 2776483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).