4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C17H23N3O — CID 30182601

IUPAC4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H23N3O/c1-12(2)20-15(10-11-18-20)19-16(21)13-6-8-14(9-7-13)17(3,4)5/h6-12H,1-5H3,(H,19,21)
InChIKeyGXWYMCDDLQDYQC-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.01
Rot. Bonds3

About 4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide

4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 30182601) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID30182601
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H23N3O/c1-12(2)20-15(10-11-18-20)19-16(21)13-6-8-14(9-7-13)17(3,4)5/h6-12H,1-5H3,(H,19,21)
InChIKeyGXWYMCDDLQDYQC-UHFFFAOYSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30186458
N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide
CID 30183164
3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 63188295
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 111422275
N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 30183964
4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 112793477
2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 62186958
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372
2-hydrazinyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 62236868
4-methylsulfanyl-3-nitro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30181993
5-amino-1-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-carboxamide
CID 75438362
6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 62240429

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 30182601) is 4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide is CC(C)n1nccc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is GXWYMCDDLQDYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)20-15(10-11-18-20)19-16(21)13-6-8-14(9-7-13)17(3,4)5/h6-12H,1-5H3,(H,19,21).
What are the key properties of 4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 285.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 30182601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).