(3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide

C18H23N5O2 — CID 129357356

IUPAC(3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1
InChIInChI=1S/C18H23N5O2/c1-2-25-17-6-4-3-5-15(17)19-18(24)22-10-9-14(11-22)23-12-16(20-21-23)13-7-8-13/h3-6,12-14H,2,7-11H2,1H3,(H,19,24)/t14-/m1/s1
InChIKeyPSMAHHGEBUMRDZ-CQSZACIVSA-N
MW341.42 g/mol
LogP3.03
Rot. Bonds5

About (3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide

(3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 129357356) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID129357356
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1
InChIInChI=1S/C18H23N5O2/c1-2-25-17-6-4-3-5-15(17)19-18(24)22-10-9-14(11-22)23-12-16(20-21-23)13-7-8-13/h3-6,12-14H,2,7-11H2,1H3,(H,19,24)/t14-/m1/s1
InChIKeyPSMAHHGEBUMRDZ-CQSZACIVSA-N
XLogP3.03
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150153
N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide
CID 121151383
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 121190416
4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121190765
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 90584758
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121190589
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 121190641
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
3-(4-cyclopropyltriazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121190700

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide (CID 129357356) is (3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1.
What is the InChIKey of (3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is PSMAHHGEBUMRDZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-25-17-6-4-3-5-15(17)19-18(24)22-10-9-14(11-22)23-12-16(20-21-23)13-7-8-13/h3-6,12-14H,2,7-11H2,1H3,(H,19,24)/t14-/m1/s1.
What are the key properties of (3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide?
(3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 129357356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).