2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one

C18H23N5O2 — CID 3728006

IUPAC2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C18H23N5O2/c1-13-15(20-23(19-13)14-9-6-5-7-10-14)16(24)21-11-8-12-22(21)17(25)18(2,3)4/h5-7,9-10H,8,11-12H2,1-4H3
InChIKeyHLMDRAYIWHWNGU-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.21
Rot. Bonds2

About 2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one

2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one (PubChem CID 3728006) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
PubChem CID3728006
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C18H23N5O2/c1-13-15(20-23(19-13)14-9-6-5-7-10-14)16(24)21-11-8-12-22(21)17(25)18(2,3)4/h5-7,9-10H,8,11-12H2,1-4H3
InChIKeyHLMDRAYIWHWNGU-UHFFFAOYSA-N
XLogP2.21
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-(6-methyl-3-pyridinyl)methanone
CID 3698286
[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone
CID 4984386
3-ethoxy-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
CID 3856805
(1-benzoylpiperidin-4-yl)-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]methanone
CID 3804993
1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 3684298
[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
1-[4-[2-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 78827860
(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone
CID 30752856
[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 17445120

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one (CID 3728006) is 2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one is Cc1nn(-c2ccccc2)nc1C(=O)N1CCCN1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one?
The InChIKey is HLMDRAYIWHWNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-15(20-23(19-13)14-9-6-5-7-10-14)16(24)21-11-8-12-22(21)17(25)18(2,3)4/h5-7,9-10H,8,11-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one has a molecular weight of 341.42 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one is sourced from PubChem (CID 3728006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).