N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide

C17H17N3O2S — CID 16604843

IUPACN-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(C(C)=O)C(c3cccs3)C2)cc1
InChIInChI=1S/C17H17N3O2S/c1-11(21)18-14-7-5-13(6-8-14)15-10-16(17-4-3-9-23-17)20(19-15)12(2)22/h3-9,16H,10H2,1-2H3,(H,18,21)
InChIKeyBWIFXDDQKYUBCV-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.40
Rot. Bonds3

About N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide

N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide (PubChem CID 16604843) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide
PubChem CID16604843
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(C(C)=O)C(c3cccs3)C2)cc1
InChIInChI=1S/C17H17N3O2S/c1-11(21)18-14-7-5-13(6-8-14)15-10-16(17-4-3-9-23-17)20(19-15)12(2)22/h3-9,16H,10H2,1-2H3,(H,18,21)
InChIKeyBWIFXDDQKYUBCV-UHFFFAOYSA-N
XLogP3.40
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide (CID 16604843) is N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2=NN(C(C)=O)C(c3cccs3)C2)cc1.
What is the InChIKey of N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
The InChIKey is BWIFXDDQKYUBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11(21)18-14-7-5-13(6-8-14)15-10-16(17-4-3-9-23-17)20(19-15)12(2)22/h3-9,16H,10H2,1-2H3,(H,18,21).
What are the key properties of N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 16604843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).