(1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone

C18H22FN3O — CID 136549425

IUPAC(1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC2(C)Cc2ccccc2F)n1
InChIInChI=1S/C18H22FN3O/c1-3-21-12-9-16(20-21)17(23)22-11-6-10-18(22,2)13-14-7-4-5-8-15(14)19/h4-5,7-9,12H,3,6,10-11,13H2,1-2H3
InChIKeyGYLRTOFLYUNSNO-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.28
Rot. Bonds4

About (1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone (PubChem CID 136549425) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone
PubChem CID136549425
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name(1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC2(C)Cc2ccccc2F)n1
InChIInChI=1S/C18H22FN3O/c1-3-21-12-9-16(20-21)17(23)22-11-6-10-18(22,2)13-14-7-4-5-8-15(14)19/h4-5,7-9,12H,3,6,10-11,13H2,1-2H3
InChIKeyGYLRTOFLYUNSNO-UHFFFAOYSA-N
XLogP3.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
CID 92632361
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(1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
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(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
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(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
CID 56725198
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
(1-ethylpyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279210
(1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
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(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide
CID 124944516
[2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone
CID 166272083
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[1-[(4-methoxyphenoxy)methyl]pyrazol-3-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone (CID 136549425) is (1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone is CCn1ccc(C(=O)N2CCCC2(C)Cc2ccccc2F)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is GYLRTOFLYUNSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-3-21-12-9-16(20-21)17(23)22-11-6-10-18(22,2)13-14-7-4-5-8-15(14)19/h4-5,7-9,12H,3,6,10-11,13H2,1-2H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 315.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 136549425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).