2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide

C17H21N3O2 — CID 174498929

IUPAC2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2cc(C(C)(C)C)nn2C)cc1
InChIInChI=1S/C17H21N3O2/c1-11-6-8-12(9-7-11)18-16(22)15(21)13-10-14(17(2,3)4)19-20(13)5/h6-10H,1-5H3,(H,18,22)
InChIKeyUEAQHSWHOQDNQR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.85
Rot. Bonds3

About 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide

2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 174498929) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide
PubChem CID174498929
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2cc(C(C)(C)C)nn2C)cc1
InChIInChI=1S/C17H21N3O2/c1-11-6-8-12(9-7-11)18-16(22)15(21)13-10-14(17(2,3)4)19-20(13)5/h6-10H,1-5H3,(H,18,22)
InChIKeyUEAQHSWHOQDNQR-UHFFFAOYSA-N
XLogP2.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
CID 78893081
3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 10734263
N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119516235
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224356
3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide
CID 78893331
3-(3-tert-butyl-1-methylpyrazol-5-yl)-3-oxopropanoic acid
CID 170887044
3-tert-butyl-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 78898253
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-methylphenyl)urea
CID 770901

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide (CID 174498929) is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)c2cc(C(C)(C)C)nn2C)cc1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is UEAQHSWHOQDNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-6-8-12(9-7-11)18-16(22)15(21)13-10-14(17(2,3)4)19-20(13)5/h6-10H,1-5H3,(H,18,22).
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide?
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 299.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 174498929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).