(1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C19H27N5O — CID 95340797

IUPAC(1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C19H27N5O/c1-3-22-11-5-7-17(22)18-8-6-12-23(18)19(25)14-9-10-16-15(13-14)20-21-24(16)4-2/h9-10,13,17-18H,3-8,11-12H2,1-2H3/t17-,18+/m1/s1
InChIKeyZAYJZBDXPIMEKN-MSOLQXFVSA-N
MW341.46 g/mol
LogP2.54
Rot. Bonds4

About (1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95340797) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95340797
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C19H27N5O/c1-3-22-11-5-7-17(22)18-8-6-12-23(18)19(25)14-9-10-16-15(13-14)20-21-24(16)4-2/h9-10,13,17-18H,3-8,11-12H2,1-2H3/t17-,18+/m1/s1
InChIKeyZAYJZBDXPIMEKN-MSOLQXFVSA-N
XLogP2.54
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethylbenzotriazol-5-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95340794
(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 18105296
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone
CID 42886651
(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60958042
methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate
CID 4785627
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95312023
(1-ethylbenzotriazol-5-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900282
ethyl (3R)-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-3-carboxylate
CID 31463500
[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 38387818
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate
CID 7805894
(1-ethylbenzotriazol-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 38005043
(1-ethylbenzotriazol-5-yl)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849984

Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95340797) is (1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)nnn2CC.
What is the InChIKey of (1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is ZAYJZBDXPIMEKN-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-22-11-5-7-17(22)18-8-6-12-23(18)19(25)14-9-10-16-15(13-14)20-21-24(16)4-2/h9-10,13,17-18H,3-8,11-12H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
(1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95340797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).