2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine

C20H18N6 — CID 159745390

IUPAC2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine
SMILESN#Cc1ccccc1-n1cccn1.NCc1ccccc1-n1cccn1
InChIInChI=1S/C10H11N3.C10H7N3/c2*11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2;1-7H
InChIKeyNCZCROASSVPVRI-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.07
Rot. Bonds3

About 2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine

2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine (PubChem CID 159745390) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound Name2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine
PubChem CID159745390
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine
SMILESN#Cc1ccccc1-n1cccn1.NCc1ccccc1-n1cccn1
InChIInChI=1S/C10H11N3.C10H7N3/c2*11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2;1-7H
InChIKeyNCZCROASSVPVRI-UHFFFAOYSA-N
XLogP3.07
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of 2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine (CID 159745390) is 2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for 2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for 2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine is N#Cc1ccccc1-n1cccn1.NCc1ccccc1-n1cccn1.
What is the InChIKey of 2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine?
The InChIKey is NCZCROASSVPVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C10H7N3/c2*11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2;1-7H.
What are the key properties of 2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine?
2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine has a molecular weight of 342.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylbenzonitrile;(2-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 159745390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).