N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C23H32N4O2 — CID 55744996

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)n1
InChIInChI=1S/C23H32N4O2/c1-15(2)19-7-6-8-21(10-19)26-14-20(11-22(26)28)23(29)24-12-16(3)13-27-18(5)9-17(4)25-27/h6-10,15-16,20H,11-14H2,1-5H3,(H,24,29)
InChIKeyDJRYFFIJSQHAHB-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.43
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 55744996) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID55744996
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)n1
InChIInChI=1S/C23H32N4O2/c1-15(2)19-7-6-8-21(10-19)26-14-20(11-22(26)28)23(29)24-12-16(3)13-27-18(5)9-17(4)25-27/h6-10,15-16,20H,11-14H2,1-5H3,(H,24,29)
InChIKeyDJRYFFIJSQHAHB-UHFFFAOYSA-N
XLogP3.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 72883984
N-(6-methyl-2-pyridinyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947153
N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55749611
5-oxo-N-[2-oxo-2-(propylamino)ethyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43053458
(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 124806697
N-(4-imidazol-1-ylbutyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55980420
(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 30785844
(3R)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 30892212
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55556177
1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide
CID 55843905
N-(3-acetamido-2-methylphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947581
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43053344

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 55744996) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is Cc1cc(C)n(CC(C)CNC(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is DJRYFFIJSQHAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-15(2)19-7-6-8-21(10-19)26-14-20(11-22(26)28)23(29)24-12-16(3)13-27-18(5)9-17(4)25-27/h6-10,15-16,20H,11-14H2,1-5H3,(H,24,29).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55744996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).