1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide

C23H23FN4O2 — CID 86941094

IUPAC1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NC1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C23H23FN4O2/c1-15-21(16(2)28(26-15)14-17-8-4-3-5-9-17)22(29)25-19-12-13-27(23(19)30)20-11-7-6-10-18(20)24/h3-11,19H,12-14H2,1-2H3,(H,25,29)
InChIKeyWJQHXNDVVZFPNP-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.22
Rot. Bonds5

About 1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide

1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 86941094) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID86941094
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NC1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C23H23FN4O2/c1-15-21(16(2)28(26-15)14-17-8-4-3-5-9-17)22(29)25-19-12-13-27(23(19)30)20-11-7-6-10-18(20)24/h3-11,19H,12-14H2,1-2H3,(H,25,29)
InChIKeyWJQHXNDVVZFPNP-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 47007794
N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526242
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526243
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
1-benzyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 41198027
1-benzyl-3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 4879142
1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 2505985
1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 33024736
1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one
CID 111119242
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122065578
1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide
CID 42956215

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide (CID 86941094) is 1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is WJQHXNDVVZFPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-15-21(16(2)28(26-15)14-17-8-4-3-5-9-17)22(29)25-19-12-13-27(23(19)30)20-11-7-6-10-18(20)24/h3-11,19H,12-14H2,1-2H3,(H,25,29).
What are the key properties of 1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide?
1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 86941094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).