(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine

C20H29N3O2 — CID 95550670

IUPAC(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
SMILESCCCn1ncc(CN2CCO[C@@H](Cc3cccc(OC)c3)C2)c1C
InChIInChI=1S/C20H29N3O2/c1-4-8-23-16(2)18(13-21-23)14-22-9-10-25-20(15-22)12-17-6-5-7-19(11-17)24-3/h5-7,11,13,20H,4,8-10,12,14-15H2,1-3H3/t20-/m0/s1
InChIKeyMSFHEZWGXWWLEN-FQEVSTJZSA-N
MW343.47 g/mol
LogP3.05
Rot. Bonds7

About (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine

(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine (PubChem CID 95550670) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
PubChem CID95550670
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
SMILESCCCn1ncc(CN2CCO[C@@H](Cc3cccc(OC)c3)C2)c1C
InChIInChI=1S/C20H29N3O2/c1-4-8-23-16(2)18(13-21-23)14-22-9-10-25-20(15-22)12-17-6-5-7-19(11-17)24-3/h5-7,11,13,20H,4,8-10,12,14-15H2,1-3H3/t20-/m0/s1
InChIKeyMSFHEZWGXWWLEN-FQEVSTJZSA-N
XLogP3.05
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine with MolForge

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Related Compounds

2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56873494
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
(2R)-2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 29257197
2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 45205929
5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
CID 45232008
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95525046
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 56870012
3-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-1H-quinolin-2-one
CID 56875111
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine (CID 95550670) is (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine is CCCn1ncc(CN2CCO[C@@H](Cc3cccc(OC)c3)C2)c1C.
What is the InChIKey of (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine?
The InChIKey is MSFHEZWGXWWLEN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-8-23-16(2)18(13-21-23)14-22-9-10-25-20(15-22)12-17-6-5-7-19(11-17)24-3/h5-7,11,13,20H,4,8-10,12,14-15H2,1-3H3/t20-/m0/s1.
What are the key properties of (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine?
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine has a molecular weight of 343.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 95550670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).