N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine

C17H18N4 — CID 43704473

IUPACN-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine
SMILESCCC(Nc1ccc(-n2cccn2)nc1)c1ccccc1
InChIInChI=1S/C17H18N4/c1-2-16(14-7-4-3-5-8-14)20-15-9-10-17(18-13-15)21-12-6-11-19-21/h3-13,16,20H,2H2,1H3
InChIKeyXNKFHXDCMYLLHV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.83
Rot. Bonds5

About N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine

N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine (PubChem CID 43704473) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine
PubChem CID43704473
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine
SMILESCCC(Nc1ccc(-n2cccn2)nc1)c1ccccc1
InChIInChI=1S/C17H18N4/c1-2-16(14-7-4-3-5-8-14)20-15-9-10-17(18-13-15)21-12-6-11-19-21/h3-13,16,20H,2H2,1H3
InChIKeyXNKFHXDCMYLLHV-UHFFFAOYSA-N
XLogP3.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine (CID 43704473) is N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine is CCC(Nc1ccc(-n2cccn2)nc1)c1ccccc1.
What is the InChIKey of N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine?
The InChIKey is XNKFHXDCMYLLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-16(14-7-4-3-5-8-14)20-15-9-10-17(18-13-15)21-12-6-11-19-21/h3-13,16,20H,2H2,1H3.
What are the key properties of N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine?
N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine has a molecular weight of 278.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 43704473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).