N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide

C22H25N5O2S — CID 42115461

IUPACN,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1
InChIInChI=1S/C22H25N5O2S/c1-24(2)20(28)16-25-10-12-26(13-11-25)22(29)18-15-27(17-7-4-3-5-8-17)23-21(18)19-9-6-14-30-19/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyMYHWLNOLBCOLDP-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.45
Rot. Bonds5

About N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide

N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 42115461) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID42115461
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1
InChIInChI=1S/C22H25N5O2S/c1-24(2)20(28)16-25-10-12-26(13-11-25)22(29)18-15-27(17-7-4-3-5-8-17)23-21(18)19-9-6-14-30-19/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyMYHWLNOLBCOLDP-UHFFFAOYSA-N
XLogP2.45
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide (CID 42115461) is N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide is CN(C)C(=O)CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is MYHWLNOLBCOLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-24(2)20(28)16-25-10-12-26(13-11-25)22(29)18-15-27(17-7-4-3-5-8-17)23-21(18)19-9-6-14-30-19/h3-9,14-15H,10-13,16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 423.54 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 42115461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).