5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide

C16H20N4O2 — CID 51999377

IUPAC5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-11(21)17-14-10-13(15(22)18-16(2,3)4)19-20(14)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,17,21)(H,18,22)
InChIKeyRDYQMYLJTHULNO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.36
Rot. Bonds3

About 5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide

5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide (PubChem CID 51999377) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide
PubChem CID51999377
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-11(21)17-14-10-13(15(22)18-16(2,3)4)19-20(14)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,17,21)(H,18,22)
InChIKeyRDYQMYLJTHULNO-UHFFFAOYSA-N
XLogP2.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51999472
5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
CID 51999445
5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide
CID 51999504
ethyl 4-[(5-acetamido-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 51999347
5-acetamido-N-[2-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51999490
N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685975
5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide
CID 51999451
3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide
CID 51999466
5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide
CID 51999507
5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 51999455
N-(2-phenylpyrazol-3-yl)acetamide
CID 12678799
5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
CID 51999403

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide (CID 51999377) is 5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide is CC(=O)Nc1cc(C(=O)NC(C)(C)C)nn1-c1ccccc1.
What is the InChIKey of 5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is RDYQMYLJTHULNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(21)17-14-10-13(15(22)18-16(2,3)4)19-20(14)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,17,21)(H,18,22).
What are the key properties of 5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide?
5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51999377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).