[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone

C20H20N6O2 — CID 3698286

IUPAC[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCCN2C(=O)c2nn(-c3ccccc3)nc2C)cn1
InChIInChI=1S/C20H20N6O2/c1-14-9-10-16(13-21-14)19(27)24-11-6-12-25(24)20(28)18-15(2)22-26(23-18)17-7-4-3-5-8-17/h3-5,7-10,13H,6,11-12H2,1-2H3
InChIKeyUIZPGZNOIUDOQC-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.18
Rot. Bonds3

About [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone

[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 3698286) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID3698286
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCCN2C(=O)c2nn(-c3ccccc3)nc2C)cn1
InChIInChI=1S/C20H20N6O2/c1-14-9-10-16(13-21-14)19(27)24-11-6-12-25(24)20(28)18-15(2)22-26(23-18)17-7-4-3-5-8-17/h3-5,7-10,13H,6,11-12H2,1-2H3
InChIKeyUIZPGZNOIUDOQC-UHFFFAOYSA-N
XLogP2.18
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-oxopropanenitrile
CID 3681571
[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone
CID 4984386
(1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone
CID 3804993
3-ethoxy-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
CID 3856805
[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 17445120
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
(5-methyl-2-phenyltriazol-4-yl)-(2-methylsulfanyl-5,6-dihydro-4H-pyrimidin-1-yl)methanone
CID 2799321
(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95307308
(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone
CID 30752856
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
(6-methyl-3-pyridinyl)-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192642
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 56821404

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 3698286) is [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCCN2C(=O)c2nn(-c3ccccc3)nc2C)cn1.
What is the InChIKey of [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is UIZPGZNOIUDOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-14-9-10-16(13-21-14)19(27)24-11-6-12-25(24)20(28)18-15(2)22-26(23-18)17-7-4-3-5-8-17/h3-5,7-10,13H,6,11-12H2,1-2H3.
What are the key properties of [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 376.42 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 3698286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).