4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide

C13H21N5O3 — CID 83096778

IUPAC4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)Cn1cc(N)cn1
InChIInChI=1S/C13H21N5O3/c1-9(2)16-13(20)11-8-21-4-3-18(11)12(19)7-17-6-10(14)5-15-17/h5-6,9,11H,3-4,7-8,14H2,1-2H3,(H,16,20)
InChIKeyXUFLRECTARJQFF-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.78
Rot. Bonds4

About 4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83096778) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83096778
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)Cn1cc(N)cn1
InChIInChI=1S/C13H21N5O3/c1-9(2)16-13(20)11-8-21-4-3-18(11)12(19)7-17-6-10(14)5-15-17/h5-6,9,11H,3-4,7-8,14H2,1-2H3,(H,16,20)
InChIKeyXUFLRECTARJQFF-UHFFFAOYSA-N
XLogP-0.78
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 ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096780
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
1-[2-(4-aminopyrazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61104989
4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073
4-(4-amino-1H-pyrazole-5-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106193
4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106634
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83097666
4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098043
4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide
CID 83106929

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 83096778) is 4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1C(=O)Cn1cc(N)cn1.
What is the InChIKey of 4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is XUFLRECTARJQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9(2)16-13(20)11-8-21-4-3-18(11)12(19)7-17-6-10(14)5-15-17/h5-6,9,11H,3-4,7-8,14H2,1-2H3,(H,16,20).
What are the key properties of 4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminopyrazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83096778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).