N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine

C24H24N4O — CID 166338665

IUPACN-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine
SMILESCCCC(Nc1cnn(-c2ccccn2)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24N4O/c1-2-8-23(27-20-17-26-28(18-20)24-11-6-7-16-25-24)19-12-14-22(15-13-19)29-21-9-4-3-5-10-21/h3-7,9-18,23,27H,2,8H2,1H3
InChIKeyCXLXAQNEDTVLRB-UHFFFAOYSA-N
MW384.48 g/mol
LogP6.01
Rot. Bonds8

About N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine

N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine (PubChem CID 166338665) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine
PubChem CID166338665
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine
SMILESCCCC(Nc1cnn(-c2ccccn2)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24N4O/c1-2-8-23(27-20-17-26-28(18-20)24-11-6-7-16-25-24)19-12-14-22(15-13-19)29-21-9-4-3-5-10-21/h3-7,9-18,23,27H,2,8H2,1H3
InChIKeyCXLXAQNEDTVLRB-UHFFFAOYSA-N
XLogP6.01
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine?
The IUPAC name of N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine (CID 166338665) is N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine?
The canonical SMILES for N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine is CCCC(Nc1cnn(-c2ccccn2)c1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine?
The InChIKey is CXLXAQNEDTVLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-2-8-23(27-20-17-26-28(18-20)24-11-6-7-16-25-24)19-12-14-22(15-13-19)29-21-9-4-3-5-10-21/h3-7,9-18,23,27H,2,8H2,1H3.
What are the key properties of N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine?
N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine has a molecular weight of 384.48 g/mol, XLogP of 6.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine is sourced from PubChem (CID 166338665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).