5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide

C23H23FN4O2 — CID 46589066

IUPAC5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(N3CCCC3=O)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O2/c1-2-21-20(15-26-28(21)19-11-7-17(24)8-12-19)23(30)25-14-16-5-9-18(10-6-16)27-13-3-4-22(27)29/h5-12,15H,2-4,13-14H2,1H3,(H,25,30)
InChIKeyLFMCNPNCHRXRQN-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.63
Rot. Bonds6

About 5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide

5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 46589066) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID46589066
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(N3CCCC3=O)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O2/c1-2-21-20(15-26-28(21)19-11-7-17(24)8-12-19)23(30)25-14-16-5-9-18(10-6-16)27-13-3-4-22(27)29/h5-12,15H,2-4,13-14H2,1H3,(H,25,30)
InChIKeyLFMCNPNCHRXRQN-UHFFFAOYSA-N
XLogP3.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide (CID 46589066) is 5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCc2ccc(N3CCCC3=O)cc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is LFMCNPNCHRXRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-2-21-20(15-26-28(21)19-11-7-17(24)8-12-19)23(30)25-14-16-5-9-18(10-6-16)27-13-3-4-22(27)29/h5-12,15H,2-4,13-14H2,1H3,(H,25,30).
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46589066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).