[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

C17H20N4O2 — CID 121190416

IUPAC[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H20N4O2/c1-23-16-5-3-2-4-14(16)17(22)20-9-8-13(10-20)21-11-15(18-19-21)12-6-7-12/h2-5,11-13H,6-10H2,1H3
InChIKeyHMHBPDHGWGOHKS-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.25
Rot. Bonds4

About [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 121190416) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID121190416
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H20N4O2/c1-23-16-5-3-2-4-14(16)17(22)20-9-8-13(10-20)21-11-15(18-19-21)12-6-7-12/h2-5,11-13H,6-10H2,1H3
InChIKeyHMHBPDHGWGOHKS-UHFFFAOYSA-N
XLogP2.25
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 121190644
(2-bromo-5-methoxyphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190470
(2,6-dimethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149915
(3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 129357356
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 121190560
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121190090
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
(4-tert-butylphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190591
3-[3-(4-cyclopropyltriazol-1-yl)azetidine-1-carbonyl]-8-methoxychromen-2-one
CID 121190140
N-[4-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 124892607

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (CID 121190416) is [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is HMHBPDHGWGOHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-16-5-3-2-4-14(16)17(22)20-9-8-13(10-20)21-11-15(18-19-21)12-6-7-12/h2-5,11-13H,6-10H2,1H3.
What are the key properties of [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 312.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 121190416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).