4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide

C21H23FN4O — CID 50902307

IUPAC4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NN1CCCCC1)N1CC(c2ccc(F)cc2)C(c2ccccc2)=N1
InChIInChI=1S/C21H23FN4O/c22-18-11-9-16(10-12-18)19-15-26(21(27)24-25-13-5-2-6-14-25)23-20(19)17-7-3-1-4-8-17/h1,3-4,7-12,19H,2,5-6,13-15H2,(H,24,27)
InChIKeyGRQFNFIOHVZOEC-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.74
Rot. Bonds3

About 4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide

4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 50902307) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID50902307
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NN1CCCCC1)N1CC(c2ccc(F)cc2)C(c2ccccc2)=N1
InChIInChI=1S/C21H23FN4O/c22-18-11-9-16(10-12-18)19-15-26(21(27)24-25-13-5-2-6-14-25)23-20(19)17-7-3-1-4-8-17/h1,3-4,7-12,19H,2,5-6,13-15H2,(H,24,27)
InChIKeyGRQFNFIOHVZOEC-UHFFFAOYSA-N
XLogP3.74
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide (CID 50902307) is 4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide is O=C(NN1CCCCC1)N1CC(c2ccc(F)cc2)C(c2ccccc2)=N1.
What is the InChIKey of 4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is GRQFNFIOHVZOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-18-11-9-16(10-12-18)19-15-26(21(27)24-25-13-5-2-6-14-25)23-20(19)17-7-3-1-4-8-17/h1,3-4,7-12,19H,2,5-6,13-15H2,(H,24,27).
What are the key properties of 4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide?
4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 50902307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).