(3-pyrazol-1-ylphenyl)methanamine

C10H11N3 — CID 730097

IUPAC(3-pyrazol-1-ylphenyl)methanamine
SMILESNCc1cccc(-n2cccn2)c1
InChIInChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2
InChIKeyYWZKZHCZKIKAAC-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.33
Rot. Bonds2

About (3-pyrazol-1-ylphenyl)methanamine

(3-pyrazol-1-ylphenyl)methanamine (PubChem CID 730097) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is (3-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-pyrazol-1-ylphenyl)methanamine
PubChem CID730097
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name(3-pyrazol-1-ylphenyl)methanamine
SMILESNCc1cccc(-n2cccn2)c1
InChIInChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2
InChIKeyYWZKZHCZKIKAAC-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 (3-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of (3-pyrazol-1-ylphenyl)methanamine (CID 730097) is (3-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for (3-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for (3-pyrazol-1-ylphenyl)methanamine is NCc1cccc(-n2cccn2)c1.
What is the InChIKey of (3-pyrazol-1-ylphenyl)methanamine?
The InChIKey is YWZKZHCZKIKAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2.
What are the key properties of (3-pyrazol-1-ylphenyl)methanamine?
(3-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 (3-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 730097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).