4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide

C₂₀H₂₀Cl₂N₄OS — CID 155515321

About 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide

4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 155515321) has the molecular formula C₂₀H₂₀Cl₂N₄OS and a molecular weight of 435.38 g/mol. Its IUPAC name is 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide
• PubChem CID: 155515321
• Molecular Formula: C₂₀H₂₀Cl₂N₄OS
• Molecular Weight: 435.38 g/mol
• Exact Mass: 434.07
• IUPAC Name: 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide
• SMILES: Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C20H20Cl2N4OS/c1-26-19(16(22)9-24-26)13-8-18(28-11-13)20(27)25-17-10-23-7-6-15(17)12-2-4-14(21)5-3-12/h2-5,8-9,11,15,17,23H,6-7,10H2,1H3,(H,25,27)/t15-,17+/m0/s1
• InChIKey: YHINZNSUFMIUDM-DOTOQJQBSA-N
• XLogP: 4.33
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.38
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide?

The IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide (CID 155515321) is 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide?

The canonical SMILES for 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide is Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)c1.

What is the InChIKey of 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide?

The InChIKey is YHINZNSUFMIUDM-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H20Cl2N4OS/c1-26-19(16(22)9-24-26)13-8-18(28-11-13)20(27)25-17-10-23-7-6-15(17)12-2-4-14(21)5-3-12/h2-5,8-9,11,15,17,23H,6-7,10H2,1H3,(H,25,27)/t15-,17+/m0/s1.

What are the key properties of 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide?

4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 435.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 155515321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155515321 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.