(2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide

C16H20N4O — CID 51612994

IUPAC(2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide
SMILESCCn1nccc1[C@H]1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C16H20N4O/c1-2-20-15(10-11-17-20)14-9-6-12-19(14)16(21)18-13-7-4-3-5-8-13/h3-5,7-8,10-11,14H,2,6,9,12H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyJTGMFFLGQADYPL-CQSZACIVSA-N
MW284.36 g/mol
LogP3.27
Rot. Bonds3

About (2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide

(2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide (PubChem CID 51612994) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide
PubChem CID51612994
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide
SMILESCCn1nccc1[C@H]1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C16H20N4O/c1-2-20-15(10-11-17-20)14-9-6-12-19(14)16(21)18-13-7-4-3-5-8-13/h3-5,7-8,10-11,14H,2,6,9,12H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyJTGMFFLGQADYPL-CQSZACIVSA-N
XLogP3.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 20896043
2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-phenylpyrrolidine-1-carboxamide
CID 50808840
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483
N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 120581740
(2R)-N-phenyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070295
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
N-phenyl-5-[1-(phenylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072507
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 92901994
2-(5-methylthiophen-2-yl)-N-phenylazepane-1-carboxamide
CID 22586847
(2S)-2-N-[(2R)-butan-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1432975

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide (CID 51612994) is (2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide is CCn1nccc1[C@H]1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is JTGMFFLGQADYPL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-20-15(10-11-17-20)14-9-6-12-19(14)16(21)18-13-7-4-3-5-8-13/h3-5,7-8,10-11,14H,2,6,9,12H2,1H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide?
(2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51612994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).