(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride

C26H35Cl2N5O — CID 170308634

About (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride

(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride (PubChem CID 170308634) has the molecular formula C26H35Cl2N5O and a molecular weight of 504.51 g/mol. Its IUPAC name is (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride.

Molecular Properties

• Compound Name: (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride
• PubChem CID: 170308634
• Molecular Formula: C26H35Cl2N5O
• Molecular Weight: 504.51 g/mol
• Exact Mass: 503.22
• IUPAC Name: (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride
• SMILES: Cc1cc([C@H]2CN(C3CCC(c4cc(C)n(C)n4)CC3)[C@@H](Cc3ccc(Cl)cc3)CO2)n[nH]1.Cl
• InChI: InChI=1S/C26H34ClN5O.ClH/c1-17-12-25(29-28-17)26-15-32(23(16-33-26)14-19-4-8-21(27)9-5-19)22-10-6-20(7-11-22)24-13-18(2)31(3)30-24;/h4-5,8-9,12-13,20,22-23,26H,6-7,10-11,14-16H2,1-3H3,(H,28,29);1H/t20?,22?,23-,26+;/m0./s1
• InChIKey: HOSPIOHLESEAEZ-DYEBCYTDSA-N
• XLogP: 5.55
• TPSA: 58.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.51
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride?

The IUPAC name of (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride (CID 170308634) is (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride.

What is the SMILES notation for (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride?

The canonical SMILES for (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride is Cc1cc([C@H]2CN(C3CCC(c4cc(C)n(C)n4)CC3)[C@@H](Cc3ccc(Cl)cc3)CO2)n[nH]1.Cl.

What is the InChIKey of (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride?

The InChIKey is HOSPIOHLESEAEZ-DYEBCYTDSA-N. The full InChI is InChI=1S/C26H34ClN5O.ClH/c1-17-12-25(29-28-17)26-15-32(23(16-33-26)14-19-4-8-21(27)9-5-19)22-10-6-20(7-11-22)24-13-18(2)31(3)30-24;/h4-5,8-9,12-13,20,22-23,26H,6-7,10-11,14-16H2,1-3H3,(H,28,29);1H/t20?,22?,23-,26+;/m0./s1.

What are the key properties of (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride?

(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride has a molecular weight of 504.51 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-2-(5-methyl-1H-pyrazol-3-yl)morpholine;hydrochloride is sourced from PubChem (CID 170308634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).