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

C23H24FN3O2 — CID 11718141

IUPAC[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone
SMILESNc1c(C(=O)c2cccc(CCC3(O)CCCC3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O2/c24-18-6-8-19(9-7-18)27-22(25)20(15-26-27)21(28)17-5-3-4-16(14-17)10-13-23(29)11-1-2-12-23/h3-9,14-15,29H,1-2,10-13,25H2
InChIKeyBSNOOUBZAZNTTC-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.06
Rot. Bonds6

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

[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone (PubChem CID 11718141) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone.

Molecular Properties

Compound Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone
PubChem CID11718141
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone
SMILESNc1c(C(=O)c2cccc(CCC3(O)CCCC3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O2/c24-18-6-8-19(9-7-18)27-22(25)20(15-26-27)21(28)17-5-3-4-16(14-17)10-13-23(29)11-1-2-12-23/h3-9,14-15,29H,1-2,10-13,25H2
InChIKeyBSNOOUBZAZNTTC-UHFFFAOYSA-N
XLogP4.06
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone?
The IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone (CID 11718141) is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone.
What is the SMILES notation for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone?
The canonical SMILES for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone is Nc1c(C(=O)c2cccc(CCC3(O)CCCC3)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone?
The InChIKey is BSNOOUBZAZNTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-18-6-8-19(9-7-18)27-22(25)20(15-26-27)21(28)17-5-3-4-16(14-17)10-13-23(29)11-1-2-12-23/h3-9,14-15,29H,1-2,10-13,25H2.
What are the key properties of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone?
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone has a molecular weight of 393.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone is sourced from PubChem (CID 11718141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).