N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride

C21H30ClN5O3 — CID 119482434

About N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119482434) has the molecular formula C21H30ClN5O3 and a molecular weight of 435.96 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
• PubChem CID: 119482434
• Molecular Formula: C21H30ClN5O3
• Molecular Weight: 435.96 g/mol
• Exact Mass: 435.20
• IUPAC Name: N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
• SMILES: CC(C)c1ccc(-n2cc(O)c(C(=O)N3CCCC(C(=O)NCCN)C3)n2)cc1.Cl
• InChI: InChI=1S/C21H29N5O3.ClH/c1-14(2)15-5-7-17(8-6-15)26-13-18(27)19(24-26)21(29)25-11-3-4-16(12-25)20(28)23-10-9-22;/h5-8,13-14,16,27H,3-4,9-12,22H2,1-2H3,(H,23,28);1H
• InChIKey: MXLRVHSFRQGVPK-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 113.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.96
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride?

The IUPAC name of N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride (CID 119482434) is N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride.

What is the SMILES notation for N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride?

The canonical SMILES for N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride is CC(C)c1ccc(-n2cc(O)c(C(=O)N3CCCC(C(=O)NCCN)C3)n2)cc1.Cl.

What is the InChIKey of N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride?

The InChIKey is MXLRVHSFRQGVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3.ClH/c1-14(2)15-5-7-17(8-6-15)26-13-18(27)19(24-26)21(29)25-11-3-4-16(12-25)20(28)23-10-9-22;/h5-8,13-14,16,27H,3-4,9-12,22H2,1-2H3,(H,23,28);1H.

What are the key properties of N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride?

N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 435.96 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119482434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).