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

C17H17N3O2S — CID 40819667

IUPACN-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3cccs3)C2)c1
InChIInChI=1S/C17H17N3O2S/c1-11(21)18-14-6-3-5-13(9-14)15-10-16(17-7-4-8-23-17)20(19-15)12(2)22/h3-9,16H,10H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyONQJUUNPZDYONR-INIZCTEOSA-N
MW327.41 g/mol
LogP3.40
Rot. Bonds3

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

N-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide (PubChem CID 40819667) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
PubChem CID40819667
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3cccs3)C2)c1
InChIInChI=1S/C17H17N3O2S/c1-11(21)18-14-6-3-5-13(9-14)15-10-16(17-7-4-8-23-17)20(19-15)12(2)22/h3-9,16H,10H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyONQJUUNPZDYONR-INIZCTEOSA-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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Related Compounds

N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 71844547
N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide
CID 75634135
1-(5-pyridin-3-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
CID 13205628
1-(3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)ethanone
CID 47087854
1-[5-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 45133655
N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 40840629
N-[3-[(2S)-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide
CID 992966
N-[3-[(3R)-2-(2-chloroacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 30886618
N-[3-[(3S)-2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 40942906
N-[4-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]-4-chlorobenzenesulfonamide
CID 4575263
1-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 171350228
N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 42956565

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide (CID 40819667) is N-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3cccs3)C2)c1.
What is the InChIKey of N-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The InChIKey is ONQJUUNPZDYONR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11(21)18-14-6-3-5-13(9-14)15-10-16(17-7-4-8-23-17)20(19-15)12(2)22/h3-9,16H,10H2,1-2H3,(H,18,21)/t16-/m0/s1.
What are the key properties of N-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
N-[3-[(3S)-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-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 40819667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).