N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C26H23N5O2 — CID 17431965

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C26H23N5O2/c32-24-9-5-15-30(24)21-12-10-19(11-13-21)16-28-26(33)23-18-31(22-7-2-1-3-8-22)29-25(23)20-6-4-14-27-17-20/h1-4,6-8,10-14,17-18H,5,9,15-16H2,(H,28,33)
InChIKeyYXAUHQSLQNZZFU-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.99
Rot. Bonds6

About N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 17431965) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID17431965
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C26H23N5O2/c32-24-9-5-15-30(24)21-12-10-19(11-13-21)16-28-26(33)23-18-31(22-7-2-1-3-8-22)29-25(23)20-6-4-14-27-17-20/h1-4,6-8,10-14,17-18H,5,9,15-16H2,(H,28,33)
InChIKeyYXAUHQSLQNZZFU-UHFFFAOYSA-N
XLogP3.99
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 17431965) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is YXAUHQSLQNZZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-24-9-5-15-30(24)21-12-10-19(11-13-21)16-28-26(33)23-18-31(22-7-2-1-3-8-22)29-25(23)20-6-4-14-27-17-20/h1-4,6-8,10-14,17-18H,5,9,15-16H2,(H,28,33).
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 17431965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).