4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide

C14H23BrN4O2 — CID 83105317

IUPAC4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C14H23BrN4O2/c1-4-16-14(20)12-9-21-7-6-18(12)8-11-13(15)10(3)17-19(11)5-2/h12H,4-9H2,1-3H3,(H,16,20)
InChIKeyOFDHZFBIYIEMSL-UHFFFAOYSA-N
MW359.27 g/mol
LogP1.31
Rot. Bonds5

About 4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide

4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83105317) has the molecular formula C14H23BrN4O2 and a molecular weight of 359.27 g/mol. Its IUPAC name is 4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83105317
Molecular FormulaC14H23BrN4O2
Molecular Weight359.27 g/mol
Exact Mass358.10
IUPAC Name4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C14H23BrN4O2/c1-4-16-14(20)12-9-21-7-6-18(12)8-11-13(15)10(3)17-19(11)5-2/h12H,4-9H2,1-3H3,(H,16,20)
InChIKeyOFDHZFBIYIEMSL-UHFFFAOYSA-N
XLogP1.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]morpholine-3-carboxylate
CID 104775065
N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83102031
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810
4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83103789
N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
CID 83103084
4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 106993901
N-ethyl-4-[[6-(ethylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83105484
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716
N-ethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83103290
N-ethyl-4-(3-hydrazinyl-3-oxopropyl)morpholine-3-carboxamide
CID 83104053
6-[3-(ethylcarbamoyl)morpholin-4-yl]hexanoic acid
CID 83100363
4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83106373

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide (CID 83105317) is 4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1Cc1c(Br)c(C)nn1CC.
What is the InChIKey of 4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is OFDHZFBIYIEMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O2/c1-4-16-14(20)12-9-21-7-6-18(12)8-11-13(15)10(3)17-19(11)5-2/h12H,4-9H2,1-3H3,(H,16,20).
What are the key properties of 4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide?
4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 359.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83105317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).