N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide

C21H21FN4O — CID 72931509

IUPACN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C21H21FN4O/c22-17-6-8-18(9-7-17)26-11-10-15(14-26)12-23-21(27)19-13-24-25-20(19)16-4-2-1-3-5-16/h1-9,13,15H,10-12,14H2,(H,23,27)(H,24,25)
InChIKeyHYRAISPSEVLGBN-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.47
Rot. Bonds5

About N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 72931509) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID72931509
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C21H21FN4O/c22-17-6-8-18(9-7-17)26-11-10-15(14-26)12-23-21(27)19-13-24-25-20(19)16-4-2-1-3-5-16/h1-9,13,15H,10-12,14H2,(H,23,27)(H,24,25)
InChIKeyHYRAISPSEVLGBN-UHFFFAOYSA-N
XLogP3.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 72931509) is N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide is O=C(NCC1CCN(c2ccc(F)cc2)C1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is HYRAISPSEVLGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-17-6-8-18(9-7-17)26-11-10-15(14-26)12-23-21(27)19-13-24-25-20(19)16-4-2-1-3-5-16/h1-9,13,15H,10-12,14H2,(H,23,27)(H,24,25).
What are the key properties of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 72931509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).