N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C17H16Cl2N4O3 — CID 24509870

IUPACN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccnn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N4O3/c18-12-3-1-2-11(17(12)19)10-23-13(6-8-20-23)21-14(24)7-9-22-15(25)4-5-16(22)26/h1-3,6,8H,4-5,7,9-10H2,(H,21,24)
InChIKeyVIACCUVFKIQSSV-UHFFFAOYSA-N
MW395.25 g/mol
LogP2.72
Rot. Bonds6

About N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 24509870) has the molecular formula C17H16Cl2N4O3 and a molecular weight of 395.25 g/mol. Its IUPAC name is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID24509870
Molecular FormulaC17H16Cl2N4O3
Molecular Weight395.25 g/mol
Exact Mass394.06
IUPAC NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccnn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N4O3/c18-12-3-1-2-11(17(12)19)10-23-13(6-8-20-23)21-14(24)7-9-22-15(25)4-5-16(22)26/h1-3,6,8H,4-5,7,9-10H2,(H,21,24)
InChIKeyVIACCUVFKIQSSV-UHFFFAOYSA-N
XLogP2.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 24509870) is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)Nc1ccnn1Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is VIACCUVFKIQSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3/c18-12-3-1-2-11(17(12)19)10-23-13(6-8-20-23)21-14(24)7-9-22-15(25)4-5-16(22)26/h1-3,6,8H,4-5,7,9-10H2,(H,21,24).
What are the key properties of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 395.25 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 24509870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).