(3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

C19H25N5O — CID 164630805

IUPAC(3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC[C@H](Cc2nc(C3CC3)n[nH]2)C1
InChIInChI=1S/C19H25N5O/c25-19(20-10-8-14-4-2-1-3-5-14)24-11-9-15(13-24)12-17-21-18(23-22-17)16-6-7-16/h1-5,15-16H,6-13H2,(H,20,25)(H,21,22,23)/t15-/m1/s1
InChIKeyCKRIAQCMHUGGIR-OAHLLOKOSA-N
MW339.44 g/mol
LogP2.50
Rot. Bonds6

About (3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

(3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 164630805) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID164630805
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC[C@H](Cc2nc(C3CC3)n[nH]2)C1
InChIInChI=1S/C19H25N5O/c25-19(20-10-8-14-4-2-1-3-5-14)24-11-9-15(13-24)12-17-21-18(23-22-17)16-6-7-16/h1-5,15-16H,6-13H2,(H,20,25)(H,21,22,23)/t15-/m1/s1
InChIKeyCKRIAQCMHUGGIR-OAHLLOKOSA-N
XLogP2.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide with MolForge

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Related Compounds

N-(2-phenylethyl)-2-(4H-1,2,4-triazol-3-yl)acetamide
CID 1263172
1-isobutyl-4-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]pyrrolidin-2-one
CID 50973470
1-[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]-3-phenyl-1-propanone
CID 53192443
2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 53586853
3-Phenyl-5-[(pyrrolidin-3-YL)methyl]-4H-1,2,4-triazole
CID 65978999
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]urea
CID 71930202
N-({1-[2-(3-Fluorophenyl)ethyl]piperidin-4-YL}methyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-YL)propanamide
CID 72905447
1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 75378318
1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 75378326
1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(2-methylphenyl)cyclopropyl]methyl]urea
CID 75378334
1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]urea
CID 75378356
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 87052071

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide (CID 164630805) is (3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide is O=C(NCCc1ccccc1)N1CC[C@H](Cc2nc(C3CC3)n[nH]2)C1.
What is the InChIKey of (3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is CKRIAQCMHUGGIR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(20-10-8-14-4-2-1-3-5-14)24-11-9-15(13-24)12-17-21-18(23-22-17)16-6-7-16/h1-5,15-16H,6-13H2,(H,20,25)(H,21,22,23)/t15-/m1/s1.
What are the key properties of (3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
(3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164630805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).