N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide

C23H25N3O3 — CID 1288492

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide
SMILESCc1c(NC(=O)C2(c3ccccc3)CCOCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H25N3O3/c1-17-20(21(27)26(25(17)2)19-11-7-4-8-12-19)24-22(28)23(13-15-29-16-14-23)18-9-5-3-6-10-18/h3-12H,13-16H2,1-2H3,(H,24,28)
InChIKeyRQTGBRJYZFSIQO-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.17
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide (PubChem CID 1288492) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide
PubChem CID1288492
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide
SMILESCc1c(NC(=O)C2(c3ccccc3)CCOCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H25N3O3/c1-17-20(21(27)26(25(17)2)19-11-7-4-8-12-19)24-22(28)23(13-15-29-16-14-23)18-9-5-3-6-10-18/h3-12H,13-16H2,1-2H3,(H,24,28)
InChIKeyRQTGBRJYZFSIQO-UHFFFAOYSA-N
XLogP3.17
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide (CID 1288492) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide is Cc1c(NC(=O)C2(c3ccccc3)CCOCC2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide?
The InChIKey is RQTGBRJYZFSIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-20(21(27)26(25(17)2)19-11-7-4-8-12-19)24-22(28)23(13-15-29-16-14-23)18-9-5-3-6-10-18/h3-12H,13-16H2,1-2H3,(H,24,28).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 1288492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).