(1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone

C17H21N3O2 — CID 164643053

IUPAC(1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CC[C@H](OCc3ccccc3)C2)n1
InChIInChI=1S/C17H21N3O2/c1-2-20-11-9-16(18-20)17(21)19-10-8-15(12-19)22-13-14-6-4-3-5-7-14/h3-7,9,11,15H,2,8,10,12-13H2,1H3/t15-/m0/s1
InChIKeyVJZKUTNNKJOGEW-HNNXBMFYSA-N
MW299.37 g/mol
LogP2.33
Rot. Bonds5

About (1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone (PubChem CID 164643053) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone
PubChem CID164643053
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CC[C@H](OCc3ccccc3)C2)n1
InChIInChI=1S/C17H21N3O2/c1-2-20-11-9-16(18-20)17(21)19-10-8-15(12-19)22-13-14-6-4-3-5-7-14/h3-7,9,11,15H,2,8,10,12-13H2,1H3/t15-/m0/s1
InChIKeyVJZKUTNNKJOGEW-HNNXBMFYSA-N
XLogP2.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[6-[4-[(2S,6S)-6-[[4-[(2S,6S)-6-(4-phenylmethoxybutyl)oxan-2-yl]triazol-1-yl]methyl]oxan-2-yl]butoxy]hexyl]pyrazole-3-carboxamide
CID 137639561
1-[(3R,4R)-3-pyrazol-1-yl-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]prop-2-en-1-one
CID 146567856
US10617680, Example 198
CID 135355324
US10617680, Example 199
CID 135355390
1-{[4-(Methylethyl)phenoxy]methyl}pyrazol-3-yl pyrrolidinyl ketone
CID 4863134
1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19277597
6-[(2-fluorobenzyl)oxy]-1-isobutyl-4-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4-diazepan-2-one
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CID 45165640
N-{[8-(2,4-difluorobenzyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-1-methyl-1H-pyrazole-3-carboxamide
CID 45166017
2-(4-fluorobenzyl)-4-[(1-methyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 45178237
2-(3-methoxybenzyl)-4-[(1-methyl-1H-pyrazol-5-yl)carbonyl]morpholine
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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone (CID 164643053) is (1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone is CCn1ccc(C(=O)N2CC[C@H](OCc3ccccc3)C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone?
The InChIKey is VJZKUTNNKJOGEW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-20-11-9-16(18-20)17(21)19-10-8-15(12-19)22-13-14-6-4-3-5-7-14/h3-7,9,11,15H,2,8,10,12-13H2,1H3/t15-/m0/s1.
What are the key properties of (1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[(3S)-3-phenylmethoxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 164643053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).