N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide

C21H17ClN4O3 — CID 55377190

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H17ClN4O3/c1-12-10-18(26(24-12)15-7-5-6-14(22)11-15)23-19(27)13(2)25-20(28)16-8-3-4-9-17(16)21(25)29/h3-11,13H,1-2H3,(H,23,27)
InChIKeyYWDWQMMVIVXIFO-UHFFFAOYSA-N
MW408.85 g/mol
LogP3.46
Rot. Bonds4

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 55377190) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID55377190
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H17ClN4O3/c1-12-10-18(26(24-12)15-7-5-6-14(22)11-15)23-19(27)13(2)25-20(28)16-8-3-4-9-17(16)21(25)29/h3-11,13H,1-2H3,(H,23,27)
InChIKeyYWDWQMMVIVXIFO-UHFFFAOYSA-N
XLogP3.46
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2457939
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
(2S)-N-(5-chloro-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7728470
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 108756112
N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
CID 55479906
(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 31779050
(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 935641
1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide
CID 138992034
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
CID 55480987

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 55377190) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide is Cc1cc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is YWDWQMMVIVXIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-12-10-18(26(24-12)15-7-5-6-14(22)11-15)23-19(27)13(2)25-20(28)16-8-3-4-9-17(16)21(25)29/h3-11,13H,1-2H3,(H,23,27).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 408.85 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 55377190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).