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

C17H21N3O — CID 50747406

IUPAC(2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC1c1ccccc1C
InChIInChI=1S/C17H21N3O/c1-3-20-16(10-11-18-20)17(21)19-12-6-9-15(19)14-8-5-4-7-13(14)2/h4-5,7-8,10-11,15H,3,6,9,12H2,1-2H3
InChIKeyDCSWEBPNKXPHFI-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.19
Rot. Bonds3

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

(2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 50747406) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID50747406
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC1c1ccccc1C
InChIInChI=1S/C17H21N3O/c1-3-20-16(10-11-18-20)17(21)19-12-6-9-15(19)14-8-5-4-7-13(14)2/h4-5,7-8,10-11,15H,3,6,9,12H2,1-2H3
InChIKeyDCSWEBPNKXPHFI-UHFFFAOYSA-N
XLogP3.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747396
[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 50809106
[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-[2-(2-methylpropyl)pyrazol-3-yl]methanone
CID 138058613
1-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 99582849
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829
2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19482706
2-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055195
(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 61062384
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 55142862
(2,4-dihydroxyphenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 15942101

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone (CID 50747406) is (2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone is CCn1nccc1C(=O)N1CCCC1c1ccccc1C.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is DCSWEBPNKXPHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-20-16(10-11-18-20)17(21)19-12-6-9-15(19)14-8-5-4-7-13(14)2/h4-5,7-8,10-11,15H,3,6,9,12H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 283.38 g/mol, XLogP of 3.19, 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-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50747406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).