[4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol

C12H21N3O2 — CID 115824593

IUPAC[4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
SMILESCC(C)n1ccc(CN2CCOC(CO)C2)n1
InChIInChI=1S/C12H21N3O2/c1-10(2)15-4-3-11(13-15)7-14-5-6-17-12(8-14)9-16/h3-4,10,12,16H,5-9H2,1-2H3
InChIKeyHRROFFCHAGHOCF-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.66
Rot. Bonds4

About [4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol

[4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol (PubChem CID 115824593) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
PubChem CID115824593
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
SMILESCC(C)n1ccc(CN2CCOC(CO)C2)n1
InChIInChI=1S/C12H21N3O2/c1-10(2)15-4-3-11(13-15)7-14-5-6-17-12(8-14)9-16/h3-4,10,12,16H,5-9H2,1-2H3
InChIKeyHRROFFCHAGHOCF-UHFFFAOYSA-N
XLogP0.66
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol (CID 115824593) is [4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol is CC(C)n1ccc(CN2CCOC(CO)C2)n1.
What is the InChIKey of [4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol?
The InChIKey is HRROFFCHAGHOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(2)15-4-3-11(13-15)7-14-5-6-17-12(8-14)9-16/h3-4,10,12,16H,5-9H2,1-2H3.
What are the key properties of [4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol?
[4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol has a molecular weight of 239.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 115824593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).