5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide

C22H23FN4O2 — CID 142680614

IUPAC5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC(N2CCCC2=O)C(c2ccc(F)cc2)=N1
InChIInChI=1S/C22H23FN4O2/c23-18-10-8-17(9-11-18)21-19(26-14-4-7-20(26)28)15-27(25-21)22(29)24-13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,24,29)
InChIKeyDPCSXBZAWROJES-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.79
Rot. Bonds5

About 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide

5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 142680614) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID142680614
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC(N2CCCC2=O)C(c2ccc(F)cc2)=N1
InChIInChI=1S/C22H23FN4O2/c23-18-10-8-17(9-11-18)21-19(26-14-4-7-20(26)28)15-27(25-21)22(29)24-13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,24,29)
InChIKeyDPCSXBZAWROJES-UHFFFAOYSA-N
XLogP2.79
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide (CID 142680614) is 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide is O=C(NCCc1ccccc1)N1CC(N2CCCC2=O)C(c2ccc(F)cc2)=N1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is DPCSXBZAWROJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-18-10-8-17(9-11-18)21-19(26-14-4-7-20(26)28)15-27(25-21)22(29)24-13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,24,29).
What are the key properties of 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide?
5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 142680614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).