N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide

C16H16ClN5O4 — CID 126837003

IUPACN-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1-c1cc(NC(=O)CN2CC(=O)N(C)C2=O)n[nH]1
InChIInChI=1S/C16H16ClN5O4/c1-21-15(24)8-22(16(21)25)7-14(23)18-13-6-11(19-20-13)10-5-9(17)3-4-12(10)26-2/h3-6H,7-8H2,1-2H3,(H2,18,19,20,23)
InChIKeyYEFQIBCNSFKVRD-UHFFFAOYSA-N
MW377.79 g/mol
LogP1.57
Rot. Bonds5

About N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide

N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide (PubChem CID 126837003) has the molecular formula C16H16ClN5O4 and a molecular weight of 377.79 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide
PubChem CID126837003
Molecular FormulaC16H16ClN5O4
Molecular Weight377.79 g/mol
Exact Mass377.09
IUPAC NameN-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1-c1cc(NC(=O)CN2CC(=O)N(C)C2=O)n[nH]1
InChIInChI=1S/C16H16ClN5O4/c1-21-15(24)8-22(16(21)25)7-14(23)18-13-6-11(19-20-13)10-5-9(17)3-4-12(10)26-2/h3-6H,7-8H2,1-2H3,(H2,18,19,20,23)
InChIKeyYEFQIBCNSFKVRD-UHFFFAOYSA-N
XLogP1.57
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide
CID 166430668
(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95280930
1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 56552765
N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26094914
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370217
N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173834
N-(5-acetamido-2-methoxyphenyl)-2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 56761541
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
CID 25260346
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
N-(4-chlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662883
3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
CID 82446407

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide (CID 126837003) is N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide is COc1ccc(Cl)cc1-c1cc(NC(=O)CN2CC(=O)N(C)C2=O)n[nH]1.
What is the InChIKey of N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is YEFQIBCNSFKVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O4/c1-21-15(24)8-22(16(21)25)7-14(23)18-13-6-11(19-20-13)10-5-9(17)3-4-12(10)26-2/h3-6H,7-8H2,1-2H3,(H2,18,19,20,23).
What are the key properties of N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide?
N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 377.79 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 126837003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).