1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide

C23H24ClN3O2 — CID 35239031

IUPAC1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@H]1CCCO1
InChIInChI=1S/C23H24ClN3O2/c1-16(21-8-5-13-29-21)25-23(28)20-15-27(14-17-6-3-2-4-7-17)26-22(20)18-9-11-19(24)12-10-18/h2-4,6-7,9-12,15-16,21H,5,8,13-14H2,1H3,(H,25,28)/t16-,21-/m1/s1
InChIKeyLZGJTEMWSDYURM-IIBYNOLFSA-N
MW409.92 g/mol
LogP4.55
Rot. Bonds6

About 1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide

1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide (PubChem CID 35239031) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
PubChem CID35239031
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@H]1CCCO1
InChIInChI=1S/C23H24ClN3O2/c1-16(21-8-5-13-29-21)25-23(28)20-15-27(14-17-6-3-2-4-7-17)26-22(20)18-9-11-19(24)12-10-18/h2-4,6-7,9-12,15-16,21H,5,8,13-14H2,1H3,(H,25,28)/t16-,21-/m1/s1
InChIKeyLZGJTEMWSDYURM-IIBYNOLFSA-N
XLogP4.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
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1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
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3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide
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2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
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1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
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3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide
CID 43062299
1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide (CID 35239031) is 1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide is C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@H]1CCCO1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide?
The InChIKey is LZGJTEMWSDYURM-IIBYNOLFSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-16(21-8-5-13-29-21)25-23(28)20-15-27(14-17-6-3-2-4-7-17)26-22(20)18-9-11-19(24)12-10-18/h2-4,6-7,9-12,15-16,21H,5,8,13-14H2,1H3,(H,25,28)/t16-,21-/m1/s1.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide?
1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 35239031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).