[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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Related Compounds

Ro-3201195
CID 5327067
[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-YL][3-(piperidin-4-yloxy)phenyl]methanone
CID 5327066
5-Amino-1-(4-fluorophenyl)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]pyrazole
CID 9931377
4-benzoyl-1-(2-methoxyphenyl)-1H-pyrazol-5-amine
CID 11580175
4-benzoyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 11601759
(R)-(5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl)(3-(2,3-dihydroxypropoxy)phenyl)methanone
CID 11632113
1-(2,4-difluorophenyl)-4-{[3-(pyridin-3-yloxy)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 23647182
5-amino-1-(1-cyanopiperidin-3-yl)-3-(3-(4-fluorophenoxy)phenyl)-1H-pyrazole-4-carboxamide
CID 90118548
US10266513, Example 105
CID 90136281
5-[(5-Acetyl-2-ethoxyphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 16347128
5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 22330246
5-Amino-1-(4-fluorophenyl)-4-(3-(2,3-dihydroxypropoxy)benzoyl)pyrazole
CID 9864202

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).