2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide

C17H20N4O3 — CID 95569382

IUPAC2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
SMILESCn1cc([C@@H]2CCCN2C(=O)c2cccc(OCC(N)=O)c2)cn1
InChIInChI=1S/C17H20N4O3/c1-20-10-13(9-19-20)15-6-3-7-21(15)17(23)12-4-2-5-14(8-12)24-11-16(18)22/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H2,18,22)/t15-/m0/s1
InChIKeyQBSDVTIGRCIZFL-HNNXBMFYSA-N
MW328.37 g/mol
LogP1.26
Rot. Bonds5

About 2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide

2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide (PubChem CID 95569382) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
PubChem CID95569382
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
SMILESCn1cc([C@@H]2CCCN2C(=O)c2cccc(OCC(N)=O)c2)cn1
InChIInChI=1S/C17H20N4O3/c1-20-10-13(9-19-20)15-6-3-7-21(15)17(23)12-4-2-5-14(8-12)24-11-16(18)22/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H2,18,22)/t15-/m0/s1
InChIKeyQBSDVTIGRCIZFL-HNNXBMFYSA-N
XLogP1.26
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 134048762
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
CID 95329682
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95569597
1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 95348934
2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 134048765
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
[4-(methoxymethyl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95322352
3-(2-amino-2-oxoethoxy)-N-methyl-N-(1-methylpyrazol-4-yl)benzamide
CID 136528003
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735
N-[[4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 95569536
N-[[4-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 56825059
N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124995506

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide (CID 95569382) is 2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide is Cn1cc([C@@H]2CCCN2C(=O)c2cccc(OCC(N)=O)c2)cn1.
What is the InChIKey of 2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is QBSDVTIGRCIZFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-20-10-13(9-19-20)15-6-3-7-21(15)17(23)12-4-2-5-14(8-12)24-11-16(18)22/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H2,18,22)/t15-/m0/s1.
What are the key properties of 2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 328.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 95569382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).