4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide

C13H21N5O3 — CID 83099384

IUPAC4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1c(N)cnn1CC
InChIInChI=1S/C13H21N5O3/c1-3-15-12(19)10-8-21-6-5-17(10)13(20)11-9(14)7-16-18(11)4-2/h7,10H,3-6,8,14H2,1-2H3,(H,15,19)
InChIKeySUIAXEBZJYEYIV-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.54
Rot. Bonds4

About 4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide

4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83099384) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide
PubChem CID83099384
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1c(N)cnn1CC
InChIInChI=1S/C13H21N5O3/c1-3-15-12(19)10-8-21-6-5-17(10)13(20)11-9(14)7-16-18(11)4-2/h7,10H,3-6,8,14H2,1-2H3,(H,15,19)
InChIKeySUIAXEBZJYEYIV-UHFFFAOYSA-N
XLogP-0.54
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-1-ethylpyrazol-5-yl)-(3-methylmorpholin-4-yl)methanone
CID 65357095
4-(3-amino-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83099381
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83098199
4-[5-(aminomethyl)pyridine-2-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83096787
4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 114918798
4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 83098826
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 104852955
4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
CID 83098794
4-amino-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 65357279
N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide
CID 83100853

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide (CID 83099384) is 4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)c1c(N)cnn1CC.
What is the InChIKey of 4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is SUIAXEBZJYEYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-3-15-12(19)10-8-21-6-5-17(10)13(20)11-9(14)7-16-18(11)4-2/h7,10H,3-6,8,14H2,1-2H3,(H,15,19).
What are the key properties of 4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide?
4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83099384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).