[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone

C23H25FN4O2 — CID 11561357

IUPAC[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESNc1c(C(=O)c2cccc(OCCN3CCCCC3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c24-18-7-9-19(10-8-18)28-23(25)21(16-26-28)22(29)17-5-4-6-20(15-17)30-14-13-27-11-2-1-3-12-27/h4-10,15-16H,1-3,11-14,25H2
InChIKeyDKDBPXXMGPNROW-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.69
Rot. Bonds7

About [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone

[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone (PubChem CID 11561357) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone.

Molecular Properties

Compound Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone
PubChem CID11561357
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESNc1c(C(=O)c2cccc(OCCN3CCCCC3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c24-18-7-9-19(10-8-18)28-23(25)21(16-26-28)22(29)17-5-4-6-20(15-17)30-14-13-27-11-2-1-3-12-27/h4-10,15-16H,1-3,11-14,25H2
InChIKeyDKDBPXXMGPNROW-UHFFFAOYSA-N
XLogP3.69
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone?
The IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone (CID 11561357) is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone.
What is the SMILES notation for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone?
The canonical SMILES for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone is Nc1c(C(=O)c2cccc(OCCN3CCCCC3)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone?
The InChIKey is DKDBPXXMGPNROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-18-7-9-19(10-8-18)28-23(25)21(16-26-28)22(29)17-5-4-6-20(15-17)30-14-13-27-11-2-1-3-12-27/h4-10,15-16H,1-3,11-14,25H2.
What are the key properties of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone?
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone has a molecular weight of 408.48 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-piperidin-1-ylethoxy)phenyl]methanone is sourced from PubChem (CID 11561357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).