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

C16H18FN3O — CID 50747015

IUPAC(2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC1c1ccccc1F
InChIInChI=1S/C16H18FN3O/c1-2-20-15(9-10-18-20)16(21)19-11-5-8-14(19)12-6-3-4-7-13(12)17/h3-4,6-7,9-10,14H,2,5,8,11H2,1H3
InChIKeyJUPQVJZKHCYSIU-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.02
Rot. Bonds3

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

(2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 50747015) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID50747015
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name(2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC1c1ccccc1F
InChIInChI=1S/C16H18FN3O/c1-2-20-15(9-10-18-20)16(21)19-11-5-8-14(19)12-6-3-4-7-13(12)17/h3-4,6-7,9-10,14H,2,5,8,11H2,1H3
InChIKeyJUPQVJZKHCYSIU-UHFFFAOYSA-N
XLogP3.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3091786
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CID 1084338
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 3299137
Ab-chfupyca
CID 122213879
IL-17A antagonist 1
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[4-(2-Fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6467697
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CID 6468083
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CID 24817447
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-3-[3-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide
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1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]indoline
CID 725789
1-[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]indoline
CID 1225706
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-1H-pyrazole-3-carboxamide
CID 4577554

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone (CID 50747015) is (2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone is CCn1nccc1C(=O)N1CCCC1c1ccccc1F.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is JUPQVJZKHCYSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-20-15(9-10-18-20)16(21)19-11-5-8-14(19)12-6-3-4-7-13(12)17/h3-4,6-7,9-10,14H,2,5,8,11H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 287.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[2-(2-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50747015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).