N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide

C19H27N5O2S — CID 71907546

IUPACN'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide
SMILESCCc1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCN(CC)CC2)s1
InChIInChI=1S/C19H27N5O2S/c1-3-15-5-6-16(27-15)13-20-18(25)19(26)22-17-7-10-21-24(17)14-8-11-23(4-2)12-9-14/h5-7,10,14H,3-4,8-9,11-13H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyXEKOBJCKMDFVFS-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.42
Rot. Bonds6

About N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide

N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide (PubChem CID 71907546) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide
PubChem CID71907546
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide
SMILESCCc1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCN(CC)CC2)s1
InChIInChI=1S/C19H27N5O2S/c1-3-15-5-6-16(27-15)13-20-18(25)19(26)22-17-7-10-21-24(17)14-8-11-23(4-2)12-9-14/h5-7,10,14H,3-4,8-9,11-13H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyXEKOBJCKMDFVFS-UHFFFAOYSA-N
XLogP2.42
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide 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'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
The IUPAC name of N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide (CID 71907546) is N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide.
What is the SMILES notation for N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
The canonical SMILES for N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide is CCc1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCN(CC)CC2)s1.
What is the InChIKey of N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
The InChIKey is XEKOBJCKMDFVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-3-15-5-6-16(27-15)13-20-18(25)19(26)22-17-7-10-21-24(17)14-8-11-23(4-2)12-9-14/h5-7,10,14H,3-4,8-9,11-13H2,1-2H3,(H,20,25)(H,22,26).
What are the key properties of N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide has a molecular weight of 389.53 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide is sourced from PubChem (CID 71907546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).