5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H17F4N5O3 — CID 129454703

IUPAC5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1c[nH]n2c(=O)cc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12
InChIInChI=1S/C24H17F4N5O3/c25-15-3-7-17(8-4-15)32-12-13(9-20(32)34)19-10-21(35)33-22(31-19)18(11-29-33)23(36)30-16-5-1-14(2-6-16)24(26,27)28/h1-8,10-11,13,29H,9,12H2,(H,30,36)/t13-/m1/s1
InChIKeyVZKRFONRQHAAOH-CYBMUJFWSA-N
MW499.42 g/mol
LogP3.95
Rot. Bonds4

About 5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129454703) has the molecular formula C24H17F4N5O3 and a molecular weight of 499.42 g/mol. Its IUPAC name is 5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129454703
Molecular FormulaC24H17F4N5O3
Molecular Weight499.42 g/mol
Exact Mass499.13
IUPAC Name5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1c[nH]n2c(=O)cc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12
InChIInChI=1S/C24H17F4N5O3/c25-15-3-7-17(8-4-15)32-12-13(9-20(32)34)19-10-21(35)33-22(31-19)18(11-29-33)23(36)30-16-5-1-14(2-6-16)24(26,27)28/h1-8,10-11,13,29H,9,12H2,(H,30,36)/t13-/m1/s1
InChIKeyVZKRFONRQHAAOH-CYBMUJFWSA-N
XLogP3.95
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 110252122
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 7548209
5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46973392
N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110252407
N-cyclopropyl-7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155775673
N-(4-chlorophenyl)-5-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110089373
1-[3,5-bis(trifluoromethyl)phenyl]-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970352
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 3334662
N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46507716
5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 83678981
6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155406797
6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206284

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129454703) is 5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1c[nH]n2c(=O)cc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12.
What is the InChIKey of 5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VZKRFONRQHAAOH-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H17F4N5O3/c25-15-3-7-17(8-4-15)32-12-13(9-20(32)34)19-10-21(35)33-22(31-19)18(11-29-33)23(36)30-16-5-1-14(2-6-16)24(26,27)28/h1-8,10-11,13,29H,9,12H2,(H,30,36)/t13-/m1/s1.
What are the key properties of 5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 499.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129454703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).