(2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone

C18H24N4O2 — CID 75391214

IUPAC(2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCC1c1nncn1CC(C)C
InChIInChI=1S/C18H24N4O2/c1-13(2)11-21-12-19-20-17(21)15-8-6-10-22(15)18(23)14-7-4-5-9-16(14)24-3/h4-5,7,9,12-13,15H,6,8,10-11H2,1-3H3
InChIKeyJKDMGOGWANAPAP-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.92
Rot. Bonds5

About (2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone

(2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 75391214) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
PubChem CID75391214
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCC1c1nncn1CC(C)C
InChIInChI=1S/C18H24N4O2/c1-13(2)11-21-12-19-20-17(21)15-8-6-10-22(15)18(23)14-7-4-5-9-16(14)24-3/h4-5,7,9,12-13,15H,6,8,10-11H2,1-3H3
InChIKeyJKDMGOGWANAPAP-UHFFFAOYSA-N
XLogP2.92
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone (CID 75391214) is (2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone is COc1ccccc1C(=O)N1CCCC1c1nncn1CC(C)C.
What is the InChIKey of (2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is JKDMGOGWANAPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)11-21-12-19-20-17(21)15-8-6-10-22(15)18(23)14-7-4-5-9-16(14)24-3/h4-5,7,9,12-13,15H,6,8,10-11H2,1-3H3.
What are the key properties of (2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone?
(2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 75391214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).