N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C21H28N4O2 — CID 72883984

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1
InChIInChI=1S/C21H28N4O2/c1-14(2)17-5-7-19(8-6-17)24-13-18(12-20(24)26)21(27)22-9-10-25-16(4)11-15(3)23-25/h5-8,11,14,18H,9-10,12-13H2,1-4H3,(H,22,27)
InChIKeyIPXZLXXHFIBFJQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 72883984) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID72883984
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1
InChIInChI=1S/C21H28N4O2/c1-14(2)17-5-7-19(8-6-17)24-13-18(12-20(24)26)21(27)22-9-10-25-16(4)11-15(3)23-25/h5-8,11,14,18H,9-10,12-13H2,1-4H3,(H,22,27)
InChIKeyIPXZLXXHFIBFJQ-UHFFFAOYSA-N
XLogP2.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55744996
(3S)-N-(2-ethylsulfonylethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97156120
(3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 95147317
(3R)-5-oxo-1-(4-propan-2-ylphenyl)-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 93018331
(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 93018332
(3S)-N-(3-methoxypropyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93018312
N-(3-methoxypropyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46109954
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567769
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 131918137
(3S)-5-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97116016
(3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9416516
1-(2,4-difluorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 86930176

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 72883984) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is Cc1cc(C)n(CCNC(=O)C2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is IPXZLXXHFIBFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14(2)17-5-7-19(8-6-17)24-13-18(12-20(24)26)21(27)22-9-10-25-16(4)11-15(3)23-25/h5-8,11,14,18H,9-10,12-13H2,1-4H3,(H,22,27).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 72883984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).