N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide

C19H25N3O2 — CID 134712105

IUPACN-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide
SMILESCC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)C1CCOCC1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)22-17(21-18(23)15-9-11-24-12-10-15)16(13-20-22)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,21,23)
InChIKeyVACBWZVOYXLBNM-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.67
Rot. Bonds3

About N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide

N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide (PubChem CID 134712105) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide
PubChem CID134712105
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide
SMILESCC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)C1CCOCC1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)22-17(21-18(23)15-9-11-24-12-10-15)16(13-20-22)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,21,23)
InChIKeyVACBWZVOYXLBNM-UHFFFAOYSA-N
XLogP3.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide?
The IUPAC name of N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide (CID 134712105) is N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide?
The canonical SMILES for N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide is CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)C1CCOCC1.
What is the InChIKey of N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide?
The InChIKey is VACBWZVOYXLBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,3)22-17(21-18(23)15-9-11-24-12-10-15)16(13-20-22)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,21,23).
What are the key properties of N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide?
N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 134712105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).