3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide

C17H21N5O2 — CID 121190717

IUPAC3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(n3cc(C4CC4)nn3)C2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-15-6-4-13(5-7-15)18-17(23)21-9-8-14(10-21)22-11-16(19-20-22)12-2-3-12/h4-7,11-12,14H,2-3,8-10H2,1H3,(H,18,23)
InChIKeyWLDJNQVLUQKDOI-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.64
Rot. Bonds4

About 3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide

3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 121190717) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID121190717
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(n3cc(C4CC4)nn3)C2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-15-6-4-13(5-7-15)18-17(23)21-9-8-14(10-21)22-11-16(19-20-22)12-2-3-12/h4-7,11-12,14H,2-3,8-10H2,1H3,(H,18,23)
InChIKeyWLDJNQVLUQKDOI-UHFFFAOYSA-N
XLogP2.64
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide
CID 121190251
3-(4-cyclopropyltriazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121190700
N-[4-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 124892607
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 121190416
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121190589
(3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 129357356
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165118
(2-bromo-5-methoxyphenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121189954
N-(4-butoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150142
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 121190717) is 3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(n3cc(C4CC4)nn3)C2)cc1.
What is the InChIKey of 3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is WLDJNQVLUQKDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-15-6-4-13(5-7-15)18-17(23)21-9-8-14(10-21)22-11-16(19-20-22)12-2-3-12/h4-7,11-12,14H,2-3,8-10H2,1H3,(H,18,23).
What are the key properties of 3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121190717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).