4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C24H23F3N4O3 — CID 55749944

IUPAC4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C24H23F3N4O3/c1-34-20-15-31(18-10-5-9-17(13-18)24(25,26)27)29-22(20)23(33)28-19(16-7-3-2-4-8-16)14-30-12-6-11-21(30)32/h2-5,7-10,13,15,19H,6,11-12,14H2,1H3,(H,28,33)
InChIKeyBACPRHXYONGLPT-UHFFFAOYSA-N
MW472.47 g/mol
LogP3.99
Rot. Bonds7

About 4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 55749944) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID55749944
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C24H23F3N4O3/c1-34-20-15-31(18-10-5-9-17(13-18)24(25,26)27)29-22(20)23(33)28-19(16-7-3-2-4-8-16)14-30-12-6-11-21(30)32/h2-5,7-10,13,15,19H,6,11-12,14H2,1H3,(H,28,33)
InChIKeyBACPRHXYONGLPT-UHFFFAOYSA-N
XLogP3.99
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
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1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51948068
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CID 86966069
N-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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4-methoxy-N-(4-morpholin-4-ylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24621815
N-(2-ethoxyphenyl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 55749944) is 4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC(CN1CCCC1=O)c1ccccc1.
What is the InChIKey of 4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is BACPRHXYONGLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-34-20-15-31(18-10-5-9-17(13-18)24(25,26)27)29-22(20)23(33)28-19(16-7-3-2-4-8-16)14-30-12-6-11-21(30)32/h2-5,7-10,13,15,19H,6,11-12,14H2,1H3,(H,28,33).
What are the key properties of 4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55749944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).