[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

C20H26N4O — CID 95736225

IUPAC[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESCCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C20H26N4O/c1-2-22-13-5-10-18(22)19-11-6-14-23(19)20(25)16-8-3-4-9-17(16)24-15-7-12-21-24/h3-4,7-9,12,15,18-19H,2,5-6,10-11,13-14H2,1H3/t18-,19-/m0/s1
InChIKeyPDBUBBONZCBYMN-OALUTQOASA-N
MW338.45 g/mol
LogP2.96
Rot. Bonds4

About [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (PubChem CID 95736225) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
PubChem CID95736225
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESCCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C20H26N4O/c1-2-22-13-5-10-18(22)19-11-6-14-23(19)20(25)16-8-3-4-9-17(16)24-15-7-12-21-24/h3-4,7-9,12,15,18-19H,2,5-6,10-11,13-14H2,1H3/t18-,19-/m0/s1
InChIKeyPDBUBBONZCBYMN-OALUTQOASA-N
XLogP2.96
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95333903
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95605676
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95332333
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 129430226
(2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone
CID 71877253
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95312023
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 95603647
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 95319800
1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95339985
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95326216
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 110022944
ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate
CID 87018917

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (CID 95736225) is [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccccc1-n1cccn1.
What is the InChIKey of [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The InChIKey is PDBUBBONZCBYMN-OALUTQOASA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-22-13-5-10-18(22)19-11-6-14-23(19)20(25)16-8-3-4-9-17(16)24-15-7-12-21-24/h3-4,7-9,12,15,18-19H,2,5-6,10-11,13-14H2,1H3/t18-,19-/m0/s1.
What are the key properties of [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone has a molecular weight of 338.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 95736225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).