N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C23H23FN4O2 — CID 45220458

IUPACN-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1c(C(C)NC(=O)c2ccc(N3CCCC3=O)cc2)cnn1-c1cccc(F)c1
InChIInChI=1S/C23H23FN4O2/c1-15(21-14-25-28(16(21)2)20-6-3-5-18(24)13-20)26-23(30)17-8-10-19(11-9-17)27-12-4-7-22(27)29/h3,5-6,8-11,13-15H,4,7,12H2,1-2H3,(H,26,30)
InChIKeyKQEHVTLURILDBD-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.94
Rot. Bonds5

About N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 45220458) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID45220458
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1c(C(C)NC(=O)c2ccc(N3CCCC3=O)cc2)cnn1-c1cccc(F)c1
InChIInChI=1S/C23H23FN4O2/c1-15(21-14-25-28(16(21)2)20-6-3-5-18(24)13-20)26-23(30)17-8-10-19(11-9-17)27-12-4-7-22(27)29/h3,5-6,8-11,13-15H,4,7,12H2,1-2H3,(H,26,30)
InChIKeyKQEHVTLURILDBD-UHFFFAOYSA-N
XLogP3.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide
CID 136586785
N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 134044850
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide
CID 42121834
N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-oxo-4-phenylbutanamide
CID 97145584
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9164826
4-methylsulfonyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]benzamide
CID 42945222
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide
CID 55592880
N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651775
4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938669
N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide
CID 30766061
6-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-3-carboxamide
CID 134034869

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 45220458) is N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1c(C(C)NC(=O)c2ccc(N3CCCC3=O)cc2)cnn1-c1cccc(F)c1.
What is the InChIKey of N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is KQEHVTLURILDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-15(21-14-25-28(16(21)2)20-6-3-5-18(24)13-20)26-23(30)17-8-10-19(11-9-17)27-12-4-7-22(27)29/h3,5-6,8-11,13-15H,4,7,12H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 406.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 45220458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).