4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine

C17H20N4O — CID 110132427

IUPAC4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine
SMILESCc1cn[nH]c1C1COCCN1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H20N4O/c1-12-9-19-20-17(12)16-11-22-7-6-21(16)10-13-2-3-15-14(8-13)4-5-18-15/h2-5,8-9,16,18H,6-7,10-11H2,1H3,(H,19,20)
InChIKeyDIMIVASMQXLOPZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.77
Rot. Bonds3

About 4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine

4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine (PubChem CID 110132427) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine
PubChem CID110132427
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine
SMILESCc1cn[nH]c1C1COCCN1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H20N4O/c1-12-9-19-20-17(12)16-11-22-7-6-21(16)10-13-2-3-15-14(8-13)4-5-18-15/h2-5,8-9,16,18H,6-7,10-11H2,1H3,(H,19,20)
InChIKeyDIMIVASMQXLOPZ-UHFFFAOYSA-N
XLogP2.77
TPSA56.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine
CID 124944669
(3S)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)morpholine
CID 124984162
5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95826979
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
4-[(3S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137140075
1H-indol-2-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124988103
3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine
CID 110132489
5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-1H-indole
CID 77090131
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124972211
5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95824213
5-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-indole
CID 174724025
3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129326138

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine?
The IUPAC name of 4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine (CID 110132427) is 4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for 4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine?
The canonical SMILES for 4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine is Cc1cn[nH]c1C1COCCN1Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine?
The InChIKey is DIMIVASMQXLOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-9-19-20-17(12)16-11-22-7-6-21(16)10-13-2-3-15-14(8-13)4-5-18-15/h2-5,8-9,16,18H,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of 4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine?
4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine has a molecular weight of 296.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-ylmethyl)-3-(4-methyl-1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 110132427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).