1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide

C19H21ClN4O3 — CID 90597712

IUPAC1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21ClN4O3/c20-14-1-3-16(4-2-14)23-11-13(9-18(23)25)19(26)22-15-10-21-24(12-15)17-5-7-27-8-6-17/h1-4,10,12-13,17H,5-9,11H2,(H,22,26)
InChIKeyBMNPLPYNVAJODV-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 90597712) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID90597712
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21ClN4O3/c20-14-1-3-16(4-2-14)23-11-13(9-18(23)25)19(26)22-15-10-21-24(12-15)17-5-7-27-8-6-17/h1-4,10,12-13,17H,5-9,11H2,(H,22,26)
InChIKeyBMNPLPYNVAJODV-UHFFFAOYSA-N
XLogP2.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
1-(4-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187469
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1366068
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 2983118
1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52995994
(3S)-N-(4-carbamoylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9391052
(3S)-N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7375127
N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3114278
(3S)-1-(4-chlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7160854
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 90597712) is 1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cnn(C2CCOCC2)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BMNPLPYNVAJODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c20-14-1-3-16(4-2-14)23-11-13(9-18(23)25)19(26)22-15-10-21-24(12-15)17-5-7-27-8-6-17/h1-4,10,12-13,17H,5-9,11H2,(H,22,26).
What are the key properties of 1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90597712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).