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

C20H15ClN4O3 — CID 127026471

IUPACN-[3-chloro-4-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)c3[nH]ncc3C)cc1Cl)C2=O
InChIInChI=1S/C20H15ClN4O3/c1-10-3-5-13-14(7-10)20(28)25(19(13)27)16-6-4-12(8-15(16)21)23-18(26)17-11(2)9-22-24-17/h3-9H,1-2H3,(H,22,24)(H,23,26)
InChIKeyVIDCCFPXTJYGKC-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.73
Rot. Bonds3

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

N-[3-chloro-4-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 127026471) has the molecular formula C20H15ClN4O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is N-[3-chloro-4-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID127026471
Molecular FormulaC20H15ClN4O3
Molecular Weight394.82 g/mol
Exact Mass394.08
IUPAC NameN-[3-chloro-4-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)c3[nH]ncc3C)cc1Cl)C2=O
InChIInChI=1S/C20H15ClN4O3/c1-10-3-5-13-14(7-10)20(28)25(19(13)27)16-6-4-12(8-15(16)21)23-18(26)17-11(2)9-22-24-17/h3-9H,1-2H3,(H,22,24)(H,23,26)
InChIKeyVIDCCFPXTJYGKC-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-chloro-4-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide (CID 127026471) is N-[3-chloro-4-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-chloro-4-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide is Cc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)c3[nH]ncc3C)cc1Cl)C2=O.
What is the InChIKey of N-[3-chloro-4-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is VIDCCFPXTJYGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3/c1-10-3-5-13-14(7-10)20(28)25(19(13)27)16-6-4-12(8-15(16)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-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide?
N-[3-chloro-4-(5-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-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 127026471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).