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

C17H27N5O3 — CID 167941362

IUPACN-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCn1nc(C)c(NC(=O)C2CC(=O)N(C3CN(C)C3)C2)c1C
InChIInChI=1S/C17H27N5O3/c1-11-16(12(2)22(19-11)5-6-25-4)18-17(24)13-7-15(23)21(8-13)14-9-20(3)10-14/h13-14H,5-10H2,1-4H3,(H,18,24)
InChIKeyWFDNNFYJJICEEP-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.25
Rot. Bonds6

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

N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 167941362) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID167941362
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCn1nc(C)c(NC(=O)C2CC(=O)N(C3CN(C)C3)C2)c1C
InChIInChI=1S/C17H27N5O3/c1-11-16(12(2)22(19-11)5-6-25-4)18-17(24)13-7-15(23)21(8-13)14-9-20(3)10-14/h13-14H,5-10H2,1-4H3,(H,18,24)
InChIKeyWFDNNFYJJICEEP-UHFFFAOYSA-N
XLogP0.25
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 154768485
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 166248205
(3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 97101977
N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 75441301
(1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 129378466
N-(1-ethylpyrazol-3-yl)-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 167744728
(3S)-1-cyclopentyl-5-oxo-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 97147266
1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 71880063
1-cyclopentyl-5-oxo-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrrolidine-3-carboxamide
CID 72930951
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 94869872
N-(5-fluoro-3-pyridinyl)-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 154768459
(3R)-1-cyclohexyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 40590696

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 167941362) is N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide is COCCn1nc(C)c(NC(=O)C2CC(=O)N(C3CN(C)C3)C2)c1C.
What is the InChIKey of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WFDNNFYJJICEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-11-16(12(2)22(19-11)5-6-25-4)18-17(24)13-7-15(23)21(8-13)14-9-20(3)10-14/h13-14H,5-10H2,1-4H3,(H,18,24).
What are the key properties of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 167941362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).