N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C17H19ClN4O2 — CID 95620292

IUPACN-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)n1
InChIInChI=1S/C17H19ClN4O2/c1-11-9-12(2)22(20-11)10-16(23)19-14-7-8-21(17(14)24)15-6-4-3-5-13(15)18/h3-6,9,14H,7-8,10H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyKFLLYMJYKBRNND-CQSZACIVSA-N
MW346.82 g/mol
LogP2.08
Rot. Bonds4

About N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 95620292) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID95620292
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)n1
InChIInChI=1S/C17H19ClN4O2/c1-11-9-12(2)22(20-11)10-16(23)19-14-7-8-21(17(14)24)15-6-4-3-5-13(15)18/h3-6,9,14H,7-8,10H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyKFLLYMJYKBRNND-CQSZACIVSA-N
XLogP2.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidine-2,5-dione
CID 3367012
1-(4-Chlorophenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 4419462
N~3~,N~5~-bis(2-chlorophenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide
CID 1021438
5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 24816774
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 168283878
1-(3-chlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-2,5-pyrrolidinedione
CID 2841010
1-(3,5-Dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
CID 3829291
2-(2-Chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 703693
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetamide
CID 58157026
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157071
N-[1-(4-chlorobenzyl)-3-piperidinyl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 24817177
1-[(2-chlorophenyl)methyl]-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 24819671

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 95620292) is N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)n1.
What is the InChIKey of N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is KFLLYMJYKBRNND-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-11-9-12(2)22(20-11)10-16(23)19-14-7-8-21(17(14)24)15-6-4-3-5-13(15)18/h3-6,9,14H,7-8,10H2,1-2H3,(H,19,23)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 346.82 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 95620292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).