1-benzyl-3-pyridin-2-ylpyrazol-4-amine

C15H14N4 — CID 83216358

IUPAC1-benzyl-3-pyridin-2-ylpyrazol-4-amine
SMILESNc1cn(Cc2ccccc2)nc1-c1ccccn1
InChIInChI=1S/C15H14N4/c16-13-11-19(10-12-6-2-1-3-7-12)18-15(13)14-8-4-5-9-17-14/h1-9,11H,10,16H2
InChIKeyBZHSRVLXUPZBQL-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.58
Rot. Bonds3

About 1-benzyl-3-pyridin-2-ylpyrazol-4-amine

1-benzyl-3-pyridin-2-ylpyrazol-4-amine (PubChem CID 83216358) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-benzyl-3-pyridin-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-3-pyridin-2-ylpyrazol-4-amine
PubChem CID83216358
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name1-benzyl-3-pyridin-2-ylpyrazol-4-amine
SMILESNc1cn(Cc2ccccc2)nc1-c1ccccn1
InChIInChI=1S/C15H14N4/c16-13-11-19(10-12-6-2-1-3-7-12)18-15(13)14-8-4-5-9-17-14/h1-9,11H,10,16H2
InChIKeyBZHSRVLXUPZBQL-UHFFFAOYSA-N
XLogP2.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-pyridin-2-ylpyrazol-4-amine?
The IUPAC name of 1-benzyl-3-pyridin-2-ylpyrazol-4-amine (CID 83216358) is 1-benzyl-3-pyridin-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-benzyl-3-pyridin-2-ylpyrazol-4-amine?
The canonical SMILES for 1-benzyl-3-pyridin-2-ylpyrazol-4-amine is Nc1cn(Cc2ccccc2)nc1-c1ccccn1.
What is the InChIKey of 1-benzyl-3-pyridin-2-ylpyrazol-4-amine?
The InChIKey is BZHSRVLXUPZBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-13-11-19(10-12-6-2-1-3-7-12)18-15(13)14-8-4-5-9-17-14/h1-9,11H,10,16H2.
What are the key properties of 1-benzyl-3-pyridin-2-ylpyrazol-4-amine?
1-benzyl-3-pyridin-2-ylpyrazol-4-amine has a molecular weight of 250.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-pyridin-2-ylpyrazol-4-amine is sourced from PubChem (CID 83216358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).