4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol

C13H24N4O2 — CID 114948407

IUPAC4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol
SMILESCN(CCCn1ccc(N)n1)CC1(O)CCOCC1
InChIInChI=1S/C13H24N4O2/c1-16(11-13(18)4-9-19-10-5-13)6-2-7-17-8-3-12(14)15-17/h3,8,18H,2,4-7,9-11H2,1H3,(H2,14,15)
InChIKeySQCCCHLEVDEZBS-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.33
Rot. Bonds6

About 4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol

4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol (PubChem CID 114948407) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol
PubChem CID114948407
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol
SMILESCN(CCCn1ccc(N)n1)CC1(O)CCOCC1
InChIInChI=1S/C13H24N4O2/c1-16(11-13(18)4-9-19-10-5-13)6-2-7-17-8-3-12(14)15-17/h3,8,18H,2,4-7,9-11H2,1H3,(H2,14,15)
InChIKeySQCCCHLEVDEZBS-UHFFFAOYSA-N
XLogP0.33
TPSA76.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[3-[butyl(methyl)amino]propyl]pyrazol-3-amine
CID 63310307
4-[[3-(2-aminophenoxy)propyl-methylamino]methyl]oxan-4-ol
CID 114948386
4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
CID 115746956
4-[[methyl(4-phenylbutyl)amino]methyl]oxan-4-ol
CID 115746964
4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol
CID 114952881
1-(3-morpholin-4-ylpropyl)pyrazol-3-amine
CID 63310505
1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
CID 63318104
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile
CID 63310595
4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol
CID 114948475

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol (CID 114948407) is 4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol is CN(CCCn1ccc(N)n1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol?
The InChIKey is SQCCCHLEVDEZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-16(11-13(18)4-9-19-10-5-13)6-2-7-17-8-3-12(14)15-17/h3,8,18H,2,4-7,9-11H2,1H3,(H2,14,15).
What are the key properties of 4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol?
4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol has a molecular weight of 268.36 g/mol, XLogP of 0.33, 6 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-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).