N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C18H15ClN4O2 — CID 75465842

IUPACN-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C18H15ClN4O2/c19-12-5-7-13(8-6-12)20-18(25)11-9-16(24)23(10-11)17-14-3-1-2-4-15(14)21-22-17/h1-8,11H,9-10H2,(H,20,25)(H,21,22)
InChIKeyNKKWSXSIVVJCLK-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.21
Rot. Bonds3

About N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 75465842) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID75465842
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C18H15ClN4O2/c19-12-5-7-13(8-6-12)20-18(25)11-9-16(24)23(10-11)17-14-3-1-2-4-15(14)21-22-17/h1-8,11H,9-10H2,(H,20,25)(H,21,22)
InChIKeyNKKWSXSIVVJCLK-UHFFFAOYSA-N
XLogP3.21
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 97265001
(3R)-1-(1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 97264841
N-(2-ethylphenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465831
(3R)-N-(2-hydroxyethyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 97266662
(3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 99754260
(3R)-N-cyclohexyl-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 97264665
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754255
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 71827888
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489383
1-(1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71701607
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 75465842) is N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CC(=O)N(c2n[nH]c3ccccc23)C1.
What is the InChIKey of N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NKKWSXSIVVJCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c19-12-5-7-13(8-6-12)20-18(25)11-9-16(24)23(10-11)17-14-3-1-2-4-15(14)21-22-17/h1-8,11H,9-10H2,(H,20,25)(H,21,22).
What are the key properties of N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75465842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).