N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide

C24H29N3O3 — CID 86897810

IUPACN-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc1OC
InChIInChI=1S/C24H29N3O3/c1-16-22(24(2,3)4)26-27(18-10-8-7-9-11-18)23(16)25-21(28)15-17-12-13-19(29-5)20(14-17)30-6/h7-14H,15H2,1-6H3,(H,25,28)
InChIKeyOXSDMOCAYNXMFN-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.68
Rot. Bonds6

About N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide

N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 86897810) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID86897810
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc1OC
InChIInChI=1S/C24H29N3O3/c1-16-22(24(2,3)4)26-27(18-10-8-7-9-11-18)23(16)25-21(28)15-17-12-13-19(29-5)20(14-17)30-6/h7-14H,15H2,1-6H3,(H,25,28)
InChIKeyOXSDMOCAYNXMFN-UHFFFAOYSA-N
XLogP4.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide
CID 86897789
2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 4622423
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315862
2-(3,4-dimethoxyphenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 113091742
2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341526
3-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431769
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8583939
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372761
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide (CID 86897810) is N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc1OC.
What is the InChIKey of N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is OXSDMOCAYNXMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-16-22(24(2,3)4)26-27(18-10-8-7-9-11-18)23(16)25-21(28)15-17-12-13-19(29-5)20(14-17)30-6/h7-14H,15H2,1-6H3,(H,25,28).
What are the key properties of N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 407.51 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 86897810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).