1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide

C20H19ClN6O2 — CID 122300462

IUPAC1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)cn2)n1
InChIInChI=1S/C20H19ClN6O2/c1-12-7-13(2)27(25-12)20-22-9-16(10-23-20)24-19(29)14-8-18(28)26(11-14)17-5-3-15(21)4-6-17/h3-7,9-10,14H,8,11H2,1-2H3,(H,24,29)
InChIKeyYXITYYXOJXZLCP-UHFFFAOYSA-N
MW410.87 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122300462) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID122300462
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)cn2)n1
InChIInChI=1S/C20H19ClN6O2/c1-12-7-13(2)27(25-12)20-22-9-16(10-23-20)24-19(29)14-8-18(28)26(11-14)17-5-3-15(21)4-6-17/h3-7,9-10,14H,8,11H2,1-2H3,(H,24,29)
InChIKeyYXITYYXOJXZLCP-UHFFFAOYSA-N
XLogP2.92
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122300460
1-(4-chlorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122292483
1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 122311667
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
CID 122300412
(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7438824
(3S)-1-(4-chlorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122289615
(3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 99874135
(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
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122311663
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide (CID 122300462) is 1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)n(-c2ncc(NC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)cn2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YXITYYXOJXZLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c1-12-7-13(2)27(25-12)20-22-9-16(10-23-20)24-19(29)14-8-18(28)26(11-14)17-5-3-15(21)4-6-17/h3-7,9-10,14H,8,11H2,1-2H3,(H,24,29).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 410.87 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122300462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).