N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide

C23H23N3O3 — CID 1305755

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)c2cc1C
InChIInChI=1S/C23H23N3O3/c1-13-11-18-15(3)21(29-19(18)12-14(13)2)22(27)24-20-16(4)25(5)26(23(20)28)17-9-7-6-8-10-17/h6-12H,1-5H3,(H,24,27)
InChIKeyARXZFTKAXYGNOH-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.41
Rot. Bonds3

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 1305755) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
PubChem CID1305755
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)c2cc1C
InChIInChI=1S/C23H23N3O3/c1-13-11-18-15(3)21(29-19(18)12-14(13)2)22(27)24-20-16(4)25(5)26(23(20)28)17-9-7-6-8-10-17/h6-12H,1-5H3,(H,24,27)
InChIKeyARXZFTKAXYGNOH-UHFFFAOYSA-N
XLogP4.41
TPSA69.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.41
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)-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide (CID 1305755) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)c2cc1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is ARXZFTKAXYGNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-13-11-18-15(3)21(29-19(18)12-14(13)2)22(27)24-20-16(4)25(5)26(23(20)28)17-9-7-6-8-10-17/h6-12H,1-5H3,(H,24,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.41, 3 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)-3,5,6-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1305755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).