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

C18H11ClN4O3 — CID 122193156

IUPACN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cn[nH]c1
InChIInChI=1S/C18H11ClN4O3/c19-14-7-11(22-16(24)10-8-20-21-9-10)5-6-15(14)23-17(25)12-3-1-2-4-13(12)18(23)26/h1-9H,(H,20,21)(H,22,24)
InChIKeyFOQOBSPAGHTONT-UHFFFAOYSA-N
MW366.76 g/mol
LogP3.12
Rot. Bonds3

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

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 122193156) has the molecular formula C18H11ClN4O3 and a molecular weight of 366.76 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID122193156
Molecular FormulaC18H11ClN4O3
Molecular Weight366.76 g/mol
Exact Mass366.05
IUPAC NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cn[nH]c1
InChIInChI=1S/C18H11ClN4O3/c19-14-7-11(22-16(24)10-8-20-21-9-10)5-6-15(14)23-17(25)12-3-1-2-4-13(12)18(23)26/h1-9H,(H,20,21)(H,22,24)
InChIKeyFOQOBSPAGHTONT-UHFFFAOYSA-N
XLogP3.12
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 53.12
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-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide (CID 122193156) is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide is O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cn[nH]c1.
What is the InChIKey of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is FOQOBSPAGHTONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O3/c19-14-7-11(22-16(24)10-8-20-21-9-10)5-6-15(14)23-17(25)12-3-1-2-4-13(12)18(23)26/h1-9H,(H,20,21)(H,22,24).
What are the key properties of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide?
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 366.76 g/mol, XLogP of 3.12, 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-(1,3-dioxoisoindol-2-yl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 122193156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).