3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

C17H23N5O3 — CID 134161321

IUPAC3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOCc1cn(C2CCN(C(=O)NCc3ccc(OC)cc3)C2)nn1
InChIInChI=1S/C17H23N5O3/c1-24-12-14-10-22(20-19-14)15-7-8-21(11-15)17(23)18-9-13-3-5-16(25-2)6-4-13/h3-6,10,15H,7-9,11-12H2,1-2H3,(H,18,23)
InChIKeyLQUZBHSSXRXLSY-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.59
Rot. Bonds6

About 3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 134161321) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID134161321
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOCc1cn(C2CCN(C(=O)NCc3ccc(OC)cc3)C2)nn1
InChIInChI=1S/C17H23N5O3/c1-24-12-14-10-22(20-19-14)15-7-8-21(11-15)17(23)18-9-13-3-5-16(25-2)6-4-13/h3-6,10,15H,7-9,11-12H2,1-2H3,(H,18,23)
InChIKeyLQUZBHSSXRXLSY-UHFFFAOYSA-N
XLogP1.59
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[3-(4-methoxycarbonyltriazol-1-yl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020806
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150163
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide
CID 134161071
[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126853764
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
tert-butyl 4-[2-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 134161790
4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53498362
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate
CID 71809168
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
(1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
CID 163339915

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (CID 134161321) is 3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is COCc1cn(C2CCN(C(=O)NCc3ccc(OC)cc3)C2)nn1.
What is the InChIKey of 3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is LQUZBHSSXRXLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-24-12-14-10-22(20-19-14)15-7-8-21(11-15)17(23)18-9-13-3-5-16(25-2)6-4-13/h3-6,10,15H,7-9,11-12H2,1-2H3,(H,18,23).
What are the key properties of 3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 134161321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).