(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine

C19H27N3O2 — CID 95285743

IUPAC(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine
SMILESCc1cnn(C[C@@H]2CN(Cc3cccc(OC(C)C)c3)CCO2)c1
InChIInChI=1S/C19H27N3O2/c1-15(2)24-18-6-4-5-17(9-18)12-21-7-8-23-19(13-21)14-22-11-16(3)10-20-22/h4-6,9-11,15,19H,7-8,12-14H2,1-3H3/t19-/m0/s1
InChIKeyXNCNAOYUBCDAKL-IBGZPJMESA-N
MW329.44 g/mol
LogP2.88
Rot. Bonds6

About (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine

(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine (PubChem CID 95285743) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine
PubChem CID95285743
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine
SMILESCc1cnn(C[C@@H]2CN(Cc3cccc(OC(C)C)c3)CCO2)c1
InChIInChI=1S/C19H27N3O2/c1-15(2)24-18-6-4-5-17(9-18)12-21-7-8-23-19(13-21)14-22-11-16(3)10-20-22/h4-6,9-11,15,19H,7-8,12-14H2,1-3H3/t19-/m0/s1
InChIKeyXNCNAOYUBCDAKL-IBGZPJMESA-N
XLogP2.88
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 95285530
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95283767
(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol
CID 100841984
(2S)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95290733
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
CID 95301599
(2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95287030
(2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95283706
1-[4-[2-hydroxy-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]phenyl]ethanone
CID 138959906
1-(4-chlorophenoxy)-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 138959888
(2R)-1-(4-fluorophenoxy)-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 100841995
1-[4-[2-hydroxy-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]phenyl]ethanone;hydrochloride
CID 138959905

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine?
The IUPAC name of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine (CID 95285743) is (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine is Cc1cnn(C[C@@H]2CN(Cc3cccc(OC(C)C)c3)CCO2)c1.
What is the InChIKey of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine?
The InChIKey is XNCNAOYUBCDAKL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(2)24-18-6-4-5-17(9-18)12-21-7-8-23-19(13-21)14-22-11-16(3)10-20-22/h4-6,9-11,15,19H,7-8,12-14H2,1-3H3/t19-/m0/s1.
What are the key properties of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine?
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine has a molecular weight of 329.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine is sourced from PubChem (CID 95285743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).