3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide

C24H25FN4O3 — CID 71796830

IUPAC3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C24H25FN4O3/c1-28-22(15-21(27-28)17-4-6-18(25)7-5-17)24(32)26-19-8-2-16(3-9-19)14-23(31)29-12-10-20(30)11-13-29/h2-9,15,20,30H,10-14H2,1H3,(H,26,32)
InChIKeyOJVGZRRSRLMCRS-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.00
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 71796830) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID71796830
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C24H25FN4O3/c1-28-22(15-21(27-28)17-4-6-18(25)7-5-17)24(32)26-19-8-2-16(3-9-19)14-23(31)29-12-10-20(30)11-13-29/h2-9,15,20,30H,10-14H2,1H3,(H,26,32)
InChIKeyOJVGZRRSRLMCRS-UHFFFAOYSA-N
XLogP3.00
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide (CID 71796830) is 3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is OJVGZRRSRLMCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-28-22(15-21(27-28)17-4-6-18(25)7-5-17)24(32)26-19-8-2-16(3-9-19)14-23(31)29-12-10-20(30)11-13-29/h2-9,15,20,30H,10-14H2,1H3,(H,26,32).
What are the key properties of 3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71796830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).