methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate

C25H34ClN3O3 — CID 169321114

IUPACmethyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate
SMILESCCn1nc(C2CCC(N3C[C@H](C(=O)OC)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C25H34ClN3O3/c1-4-29-17(2)13-23(27-29)19-7-11-21(12-8-19)28-15-24(25(30)31-3)32-16-22(28)14-18-5-9-20(26)10-6-18/h5-6,9-10,13,19,21-22,24H,4,7-8,11-12,14-16H2,1-3H3/t19?,21?,22-,24+/m0/s1
InChIKeyYMQHFPPEYOSRAD-ZQRRJYLRSA-N
MW460.02 g/mol
LogP4.38
Rot. Bonds6

About methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate

methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate (PubChem CID 169321114) has the molecular formula C25H34ClN3O3 and a molecular weight of 460.02 g/mol. Its IUPAC name is methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate
PubChem CID169321114
Molecular FormulaC25H34ClN3O3
Molecular Weight460.02 g/mol
Exact Mass459.23
IUPAC Namemethyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate
SMILESCCn1nc(C2CCC(N3C[C@H](C(=O)OC)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C25H34ClN3O3/c1-4-29-17(2)13-23(27-29)19-7-11-21(12-8-19)28-15-24(25(30)31-3)32-16-22(28)14-18-5-9-20(26)10-6-18/h5-6,9-10,13,19,21-22,24H,4,7-8,11-12,14-16H2,1-3H3/t19?,21?,22-,24+/m0/s1
InChIKeyYMQHFPPEYOSRAD-ZQRRJYLRSA-N
XLogP4.38
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.02
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate 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 methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate?
The IUPAC name of methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate (CID 169321114) is methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate?
The canonical SMILES for methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate is CCn1nc(C2CCC(N3C[C@H](C(=O)OC)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)cc1C.
What is the InChIKey of methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate?
The InChIKey is YMQHFPPEYOSRAD-ZQRRJYLRSA-N. The full InChI is InChI=1S/C25H34ClN3O3/c1-4-29-17(2)13-23(27-29)19-7-11-21(12-8-19)28-15-24(25(30)31-3)32-16-22(28)14-18-5-9-20(26)10-6-18/h5-6,9-10,13,19,21-22,24H,4,7-8,11-12,14-16H2,1-3H3/t19?,21?,22-,24+/m0/s1.
What are the key properties of methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate?
methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate has a molecular weight of 460.02 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate is sourced from PubChem (CID 169321114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).