[4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine

C14H26N4O — CID 114397778

IUPAC[4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine
SMILESCCn1nc(C)c(C(C)N2CCOC(CN)C2)c1C
InChIInChI=1S/C14H26N4O/c1-5-18-12(4)14(10(2)16-18)11(3)17-6-7-19-13(8-15)9-17/h11,13H,5-9,15H2,1-4H3
InChIKeySPXKMSQDNWXPED-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.24
Rot. Bonds4

About [4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine

[4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine (PubChem CID 114397778) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is [4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine
PubChem CID114397778
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name[4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine
SMILESCCn1nc(C)c(C(C)N2CCOC(CN)C2)c1C
InChIInChI=1S/C14H26N4O/c1-5-18-12(4)14(10(2)16-18)11(3)17-6-7-19-13(8-15)9-17/h11,13H,5-9,15H2,1-4H3
InChIKeySPXKMSQDNWXPED-UHFFFAOYSA-N
XLogP1.24
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79083525
[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine
CID 114397830
3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile
CID 114398825
[4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine
CID 122556734
[4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114079708
[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114394882
[4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride
CID 85086626
1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056599
[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393446
1-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine
CID 55139422
2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid
CID 64534338
[4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 120844424

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine (CID 114397778) is [4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine is CCn1nc(C)c(C(C)N2CCOC(CN)C2)c1C.
What is the InChIKey of [4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine?
The InChIKey is SPXKMSQDNWXPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-18-12(4)14(10(2)16-18)11(3)17-6-7-19-13(8-15)9-17/h11,13H,5-9,15H2,1-4H3.
What are the key properties of [4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine?
[4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114397778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).