5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide

C23H21FN4O2 — CID 154841420

IUPAC5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2c2ccccc2)C1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C23H21FN4O2/c24-19-9-5-4-8-16(19)22-18(12-25-27-22)23(30)26-15-10-21(29)28(13-15)20-11-17(20)14-6-2-1-3-7-14/h1-9,12,15,17,20H,10-11,13H2,(H,25,27)(H,26,30)
InChIKeyXZQCTOQPUQUCLH-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.10
Rot. Bonds5

About 5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide

5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 154841420) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID154841420
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2c2ccccc2)C1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C23H21FN4O2/c24-19-9-5-4-8-16(19)22-18(12-25-27-22)23(30)26-15-10-21(29)28(13-15)20-11-17(20)14-6-2-1-3-7-14/h1-9,12,15,17,20H,10-11,13H2,(H,25,27)(H,26,30)
InChIKeyXZQCTOQPUQUCLH-UHFFFAOYSA-N
XLogP3.10
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124865903
N-(1,1-dioxothian-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 75378460
5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 120599770
1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea
CID 124507736
N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119342635
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 95721732
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562475
6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 166216719
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849
2-[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50973625
5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide
CID 166286588
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 120658572

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide (CID 154841420) is 5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide is O=C(NC1CC(=O)N(C2CC2c2ccccc2)C1)c1cn[nH]c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is XZQCTOQPUQUCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-19-9-5-4-8-16(19)22-18(12-25-27-22)23(30)26-15-10-21(29)28(13-15)20-11-17(20)14-6-2-1-3-7-14/h1-9,12,15,17,20H,10-11,13H2,(H,25,27)(H,26,30).
What are the key properties of 5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154841420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).