(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione

C19H16ClN5O2 — CID 98234962

IUPAC(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESCc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C19H16ClN5O2/c1-11-17(18(21)25(23-11)15-7-2-3-8-22-15)14-10-16(26)24(19(14)27)13-6-4-5-12(20)9-13/h2-9,14H,10,21H2,1H3/t14-/m1/s1
InChIKeyUJHOXDMMTZDDQI-CQSZACIVSA-N
MW381.82 g/mol
LogP2.86
Rot. Bonds3

About (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione

(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 98234962) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID98234962
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESCc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C19H16ClN5O2/c1-11-17(18(21)25(23-11)15-7-2-3-8-22-15)14-10-16(26)24(19(14)27)13-6-4-5-12(20)9-13/h2-9,14H,10,21H2,1H3/t14-/m1/s1
InChIKeyUJHOXDMMTZDDQI-CQSZACIVSA-N
XLogP2.86
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
CID 98234939
3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 56762027
(3S)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 95391005
(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(2,6-difluorophenyl)pyrrolidine-2,5-dione
CID 98234503
(3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione
CID 95391546
1-(3-chlorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 18833657
3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione
CID 3076811
3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 16584249
3-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,5-dioxopyrrolidin-1-yl]-4-methoxybenzoic acid
CID 52996793
1-(3-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 71519662
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione
CID 46298369

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione (CID 98234962) is (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione is Cc1nn(-c2ccccn2)c(N)c1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is UJHOXDMMTZDDQI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-11-17(18(21)25(23-11)15-7-2-3-8-22-15)14-10-16(26)24(19(14)27)13-6-4-5-12(20)9-13/h2-9,14H,10,21H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione?
(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 381.82 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98234962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).