1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

C25H29N5O5 — CID 3684298

IUPAC1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(CCC(=O)N2CCCN2C(=O)c2nn(-c3ccccc3)nc2C)cc(OC)c1OC
InChIInChI=1S/C25H29N5O5/c1-17-23(27-30(26-17)19-9-6-5-7-10-19)25(32)29-14-8-13-28(29)22(31)12-11-18-15-20(33-2)24(35-4)21(16-18)34-3/h5-7,9-10,15-16H,8,11-14H2,1-4H3
InChIKeyOAAZRRXRCUIOEI-UHFFFAOYSA-N
MW479.54 g/mol
LogP2.82
Rot. Bonds8

About 1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one (PubChem CID 3684298) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is 1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
PubChem CID3684298
Molecular FormulaC25H29N5O5
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(CCC(=O)N2CCCN2C(=O)c2nn(-c3ccccc3)nc2C)cc(OC)c1OC
InChIInChI=1S/C25H29N5O5/c1-17-23(27-30(26-17)19-9-6-5-7-10-19)25(32)29-14-8-13-28(29)22(31)12-11-18-15-20(33-2)24(35-4)21(16-18)34-3/h5-7,9-10,15-16H,8,11-14H2,1-4H3
InChIKeyOAAZRRXRCUIOEI-UHFFFAOYSA-N
XLogP2.82
TPSA99.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-ethoxy-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
CID 3856805
2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
CID 3728006
3-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-oxopropanenitrile
CID 3681571
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427
[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 3698286
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone
CID 4984386
1-(2-benzylpyrrolidin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 51337904
4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide
CID 3783080
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 31329220
(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 43066680
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3693938

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The IUPAC name of 1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one (CID 3684298) is 1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one is COc1cc(CCC(=O)N2CCCN2C(=O)c2nn(-c3ccccc3)nc2C)cc(OC)c1OC.
What is the InChIKey of 1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The InChIKey is OAAZRRXRCUIOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-17-23(27-30(26-17)19-9-6-5-7-10-19)25(32)29-14-8-13-28(29)22(31)12-11-18-15-20(33-2)24(35-4)21(16-18)34-3/h5-7,9-10,15-16H,8,11-14H2,1-4H3.
What are the key properties of 1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one?
1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one has a molecular weight of 479.54 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one is sourced from PubChem (CID 3684298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).