[4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol

C13H24N4O2 — CID 81205355

IUPAC[4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol
SMILESCCC(N)C(c1cnn(C)c1)N1CCOC(CO)C1
InChIInChI=1S/C13H24N4O2/c1-3-12(14)13(10-6-15-16(2)7-10)17-4-5-19-11(8-17)9-18/h6-7,11-13,18H,3-5,8-9,14H2,1-2H3
InChIKeyFXCMRRRHEDZDRG-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.11
Rot. Bonds5

About [4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol

[4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol (PubChem CID 81205355) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is [4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol
PubChem CID81205355
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name[4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol
SMILESCCC(N)C(c1cnn(C)c1)N1CCOC(CO)C1
InChIInChI=1S/C13H24N4O2/c1-3-12(14)13(10-6-15-16(2)7-10)17-4-5-19-11(8-17)9-18/h6-7,11-13,18H,3-5,8-9,14H2,1-2H3
InChIKeyFXCMRRRHEDZDRG-UHFFFAOYSA-N
XLogP-0.11
TPSA76.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol (CID 81205355) is [4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol is CCC(N)C(c1cnn(C)c1)N1CCOC(CO)C1.
What is the InChIKey of [4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol?
The InChIKey is FXCMRRRHEDZDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-12(14)13(10-6-15-16(2)7-10)17-4-5-19-11(8-17)9-18/h6-7,11-13,18H,3-5,8-9,14H2,1-2H3.
What are the key properties of [4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol?
[4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol has a molecular weight of 268.36 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81205355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).