N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C21H26N4O2S — CID 24819386

IUPACN-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCSc1ccc(CC(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1
InChIInChI=1S/C21H26N4O2S/c1-28-18-6-2-15(3-7-18)14-20(26)24-12-9-17(10-13-24)25-19(8-11-22-25)23-21(27)16-4-5-16/h2-3,6-8,11,16-17H,4-5,9-10,12-14H2,1H3,(H,23,27)
InChIKeyXEPOFVHZMBVSRA-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.36
Rot. Bonds6

About N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24819386) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24819386
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCSc1ccc(CC(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1
InChIInChI=1S/C21H26N4O2S/c1-28-18-6-2-15(3-7-18)14-20(26)24-12-9-17(10-13-24)25-19(8-11-22-25)23-21(27)16-4-5-16/h2-3,6-8,11,16-17H,4-5,9-10,12-14H2,1H3,(H,23,27)
InChIKeyXEPOFVHZMBVSRA-UHFFFAOYSA-N
XLogP3.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide 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-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24819386) is N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is CSc1ccc(CC(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1.
What is the InChIKey of N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is XEPOFVHZMBVSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-28-18-6-2-15(3-7-18)14-20(26)24-12-9-17(10-13-24)25-19(8-11-22-25)23-21(27)16-4-5-16/h2-3,6-8,11,16-17H,4-5,9-10,12-14H2,1H3,(H,23,27).
What are the key properties of N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24819386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).