N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

C24H23N3O5 — CID 60607308

IUPACN-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O5/c1-29-20-11-16(12-21(30-2)24(20)31-3)13-23(28)25-22-14-19(17-9-10-32-15-17)26-27(22)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,25,28)
InChIKeyKMNTZEVCBULGJU-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.34
Rot. Bonds8

About N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 60607308) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID60607308
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC NameN-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O5/c1-29-20-11-16(12-21(30-2)24(20)31-3)13-23(28)25-22-14-19(17-9-10-32-15-17)26-27(22)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,25,28)
InChIKeyKMNTZEVCBULGJU-UHFFFAOYSA-N
XLogP4.34
TPSA87.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 60607308) is N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is KMNTZEVCBULGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-29-20-11-16(12-21(30-2)24(20)31-3)13-23(28)25-22-14-19(17-9-10-32-15-17)26-27(22)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,25,28).
What are the key properties of N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 433.46 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 60607308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).