N-(1-benzylpyrazol-4-yl)pyridin-2-amine

C15H14N4 — CID 82537528

IUPACN-(1-benzylpyrazol-4-yl)pyridin-2-amine
SMILESc1ccc(Cn2cc(Nc3ccccn3)cn2)cc1
InChIInChI=1S/C15H14N4/c1-2-6-13(7-3-1)11-19-12-14(10-17-19)18-15-8-4-5-9-16-15/h1-10,12H,11H2,(H,16,18)
InChIKeyKBSPKHOXEDJCCH-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.07
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)pyridin-2-amine

N-(1-benzylpyrazol-4-yl)pyridin-2-amine (PubChem CID 82537528) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)pyridin-2-amine
PubChem CID82537528
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-(1-benzylpyrazol-4-yl)pyridin-2-amine
SMILESc1ccc(Cn2cc(Nc3ccccn3)cn2)cc1
InChIInChI=1S/C15H14N4/c1-2-6-13(7-3-1)11-19-12-14(10-17-19)18-15-8-4-5-9-16-15/h1-10,12H,11H2,(H,16,18)
InChIKeyKBSPKHOXEDJCCH-UHFFFAOYSA-N
XLogP3.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of N-(1-benzylpyrazol-4-yl)pyridin-2-amine (CID 82537528) is N-(1-benzylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)pyridin-2-amine is c1ccc(Cn2cc(Nc3ccccn3)cn2)cc1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is KBSPKHOXEDJCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-6-13(7-3-1)11-19-12-14(10-17-19)18-15-8-4-5-9-16-15/h1-10,12H,11H2,(H,16,18).
What are the key properties of N-(1-benzylpyrazol-4-yl)pyridin-2-amine?
N-(1-benzylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 250.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 82537528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).