5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine

C21H30ClN5O2 — CID 157061142

IUPAC5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine
SMILESCO[C@H]1CN(C2=NN=C(N)C2)CCC1N1C[C@H](C)OCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H30ClN5O2/c1-14-11-27(17(13-29-14)9-15-3-5-16(22)6-4-15)18-7-8-26(12-19(18)28-2)21-10-20(23)24-25-21/h3-6,14,17-19H,7-13H2,1-2H3,(H2,23,24)/t14-,17?,18?,19-/m0/s1
InChIKeySFHVSPCWVRGYOO-QKHJWGRCSA-N
MW419.96 g/mol
LogP2.14
Rot. Bonds4

About 5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine

5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine (PubChem CID 157061142) has the molecular formula C21H30ClN5O2 and a molecular weight of 419.96 g/mol. Its IUPAC name is 5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine
PubChem CID157061142
Molecular FormulaC21H30ClN5O2
Molecular Weight419.96 g/mol
Exact Mass419.21
IUPAC Name5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine
SMILESCO[C@H]1CN(C2=NN=C(N)C2)CCC1N1C[C@H](C)OCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H30ClN5O2/c1-14-11-27(17(13-29-14)9-15-3-5-16(22)6-4-15)18-7-8-26(12-19(18)28-2)21-10-20(23)24-25-21/h3-6,14,17-19H,7-13H2,1-2H3,(H2,23,24)/t14-,17?,18?,19-/m0/s1
InChIKeySFHVSPCWVRGYOO-QKHJWGRCSA-N
XLogP2.14
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157057863
5-[4-[(2R,5R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159429680
(2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine
CID 126652440
1-[(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one
CID 148552003
acetic acid;[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-(3-methylazetidin-1-yl)methanone
CID 158666507
5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157284026
acetic acid;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-4,4-difluorobutan-1-one
CID 158383470
[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-(3-fluoroazetidin-1-yl)methanone
CID 158284480
acetic acid;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 161242519
5-[4-[2-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157061141
1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-4-ethylsulfonylbutan-1-one
CID 157154424
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine
CID 168679082

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine?
The IUPAC name of 5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine (CID 157061142) is 5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine.
What is the SMILES notation for 5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine?
The canonical SMILES for 5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine is CO[C@H]1CN(C2=NN=C(N)C2)CCC1N1C[C@H](C)OCC1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine?
The InChIKey is SFHVSPCWVRGYOO-QKHJWGRCSA-N. The full InChI is InChI=1S/C21H30ClN5O2/c1-14-11-27(17(13-29-14)9-15-3-5-16(22)6-4-15)18-7-8-26(12-19(18)28-2)21-10-20(23)24-25-21/h3-6,14,17-19H,7-13H2,1-2H3,(H2,23,24)/t14-,17?,18?,19-/m0/s1.
What are the key properties of 5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine?
5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine has a molecular weight of 419.96 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine is sourced from PubChem (CID 157061142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).