N-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide

C20H24N4O2 — CID 2811417

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(C(C)(C)C)on2)cnn1-c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-5-9-16-15(13-21-24(16)14-10-7-6-8-11-14)19(25)22-18-12-17(26-23-18)20(2,3)4/h6-8,10-13H,5,9H2,1-4H3,(H,22,23,25)
InChIKeyUSOVZFLINHPQKW-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.36
Rot. Bonds5

About N-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 2811417) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID2811417
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(C(C)(C)C)on2)cnn1-c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-5-9-16-15(13-21-24(16)14-10-7-6-8-11-14)19(25)22-18-12-17(26-23-18)20(2,3)4/h6-8,10-13H,5,9H2,1-4H3,(H,22,23,25)
InChIKeyUSOVZFLINHPQKW-UHFFFAOYSA-N
XLogP4.36
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide
CID 46943424
N-(5-methyl-3-isoxazolyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811261
5-amino-1-butyl-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 52943885
5-isopropyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-3-isoxazolecarboxamide
CID 5308341
(5-methylisoxazol-3-yl)-N-{1-[(4-methylphenyl)methyl]pyrazol-3-yl}carboxamide
CID 9551033
WO2022098970, Example 335
CID 163292014
WO2022098970, Example 293
CID 163292128
N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5-propylisoxazole-3-carboxamide
CID 16188850
N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide
CID 135600226
WO2022098970, Example 311
CID 163291951
WO2022098970, Example 318
CID 163292117
2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(5-methylisoxazol-3-yl)acetamide
CID 7118605

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide (CID 2811417) is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2cc(C(C)(C)C)on2)cnn1-c1ccccc1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is USOVZFLINHPQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-5-9-16-15(13-21-24(16)14-10-7-6-8-11-14)19(25)22-18-12-17(26-23-18)20(2,3)4/h6-8,10-13H,5,9H2,1-4H3,(H,22,23,25).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 2811417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).