N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide

C23H21ClN4O3 — CID 171845915

IUPACN-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)c1ccc(-c2cccc(C3CCC(=O)NC3=O)c2Cl)cc1
InChIInChI=1S/C23H21ClN4O3/c1-27-13-12-19(26-27)23(31)28(2)15-8-6-14(7-9-15)16-4-3-5-17(21(16)24)18-10-11-20(29)25-22(18)30/h3-9,12-13,18H,10-11H2,1-2H3,(H,25,29,30)
InChIKeyXUNRYQANAPAPPJ-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.54
Rot. Bonds4

About N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide

N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 171845915) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID171845915
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC NameN-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)c1ccc(-c2cccc(C3CCC(=O)NC3=O)c2Cl)cc1
InChIInChI=1S/C23H21ClN4O3/c1-27-13-12-19(26-27)23(31)28(2)15-8-6-14(7-9-15)16-4-3-5-17(21(16)24)18-10-11-20(29)25-22(18)30/h3-9,12-13,18H,10-11H2,1-2H3,(H,25,29,30)
InChIKeyXUNRYQANAPAPPJ-UHFFFAOYSA-N
XLogP3.54
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.54
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-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide (CID 171845915) is N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide is CN(C(=O)c1ccn(C)n1)c1ccc(-c2cccc(C3CCC(=O)NC3=O)c2Cl)cc1.
What is the InChIKey of N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is XUNRYQANAPAPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-27-13-12-19(26-27)23(31)28(2)15-8-6-14(7-9-15)16-4-3-5-17(21(16)24)18-10-11-20(29)25-22(18)30/h3-9,12-13,18H,10-11H2,1-2H3,(H,25,29,30).
What are the key properties of N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide?
N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 171845915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).