4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide

C14H25N5O2 — CID 83097968

IUPAC4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1CCCn1ccc(N)n1
InChIInChI=1S/C14H25N5O2/c1-2-5-16-14(20)12-11-21-10-9-18(12)6-3-7-19-8-4-13(15)17-19/h4,8,12H,2-3,5-7,9-11H2,1H3,(H2,15,17)(H,16,20)
InChIKeyPBCCFLUAFMJUJJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.08
Rot. Bonds7

About 4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide

4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83097968) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide
PubChem CID83097968
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1CCCn1ccc(N)n1
InChIInChI=1S/C14H25N5O2/c1-2-5-16-14(20)12-11-21-10-9-18(12)6-3-7-19-8-4-13(15)17-19/h4,8,12H,2-3,5-7,9-11H2,1H3,(H2,15,17)(H,16,20)
InChIKeyPBCCFLUAFMJUJJ-UHFFFAOYSA-N
XLogP0.08
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide (CID 83097968) is 4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1CCCn1ccc(N)n1.
What is the InChIKey of 4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is PBCCFLUAFMJUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-2-5-16-14(20)12-11-21-10-9-18(12)6-3-7-19-8-4-13(15)17-19/h4,8,12H,2-3,5-7,9-11H2,1H3,(H2,15,17)(H,16,20).
What are the key properties of 4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide?
4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83097968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).