N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine

C15H27BrN4O — CID 83102031

IUPACN-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C15H27BrN4O/c1-4-6-17-9-13-11-21-8-7-19(13)10-14-15(16)12(3)18-20(14)5-2/h13,17H,4-11H2,1-3H3
InChIKeyFAXJIAJISDQMPU-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.17
Rot. Bonds7

About N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine

N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine (PubChem CID 83102031) has the molecular formula C15H27BrN4O and a molecular weight of 359.31 g/mol. Its IUPAC name is N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
PubChem CID83102031
Molecular FormulaC15H27BrN4O
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC NameN-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C15H27BrN4O/c1-4-6-17-9-13-11-21-8-7-19(13)10-14-15(16)12(3)18-20(14)5-2/h13,17H,4-11H2,1-3H3
InChIKeyFAXJIAJISDQMPU-UHFFFAOYSA-N
XLogP2.17
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83105317
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine
CID 83062124
N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100002
N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100659
N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100086
N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100890
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100255
N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83101094
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methyloxan-4-amine
CID 114240882
[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103441749
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83099915
N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
CID 83100500

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine (CID 83102031) is N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1Cc1c(Br)c(C)nn1CC.
What is the InChIKey of N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is FAXJIAJISDQMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4O/c1-4-6-17-9-13-11-21-8-7-19(13)10-14-15(16)12(3)18-20(14)5-2/h13,17H,4-11H2,1-3H3.
What are the key properties of N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine?
N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 359.31 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 83102031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).