N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide

C20H15ClN4O3 — CID 127028301

IUPACN-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
InChIInChI=1S/C20H15ClN4O3/c1-10-4-3-5-13-16(10)20(28)25(19(13)27)15-7-6-12(8-14(15)21)23-18(26)17-11(2)9-22-24-17/h3-9H,1-2H3,(H,22,24)(H,23,26)
InChIKeyJSFBEWCQSWLDIH-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.73
Rot. Bonds3

About N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide

N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 127028301) has the molecular formula C20H15ClN4O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID127028301
Molecular FormulaC20H15ClN4O3
Molecular Weight394.82 g/mol
Exact Mass394.08
IUPAC NameN-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1
InChIInChI=1S/C20H15ClN4O3/c1-10-4-3-5-13-16(10)20(28)25(19(13)27)15-7-6-12(8-14(15)21)23-18(26)17-11(2)9-22-24-17/h3-9H,1-2H3,(H,22,24)(H,23,26)
InChIKeyJSFBEWCQSWLDIH-UHFFFAOYSA-N
XLogP3.73
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide (CID 127028301) is N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide is Cc1cn[nH]c1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is JSFBEWCQSWLDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3/c1-10-4-3-5-13-16(10)20(28)25(19(13)27)15-7-6-12(8-14(15)21)23-18(26)17-11(2)9-22-24-17/h3-9H,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide?
N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 394.82 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 127028301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).