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

C14H25N3O2 — CID 106297060

IUPAC[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol
SMILESCC(C)c1nn(C)cc1CNC1(CO)CCOCC1
InChIInChI=1S/C14H25N3O2/c1-11(2)13-12(9-17(3)16-13)8-15-14(10-18)4-6-19-7-5-14/h9,11,15,18H,4-8,10H2,1-3H3
InChIKeyVFULZDOVZAKITH-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.17
Rot. Bonds5

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

[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol (PubChem CID 106297060) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is [4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol
PubChem CID106297060
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol
SMILESCC(C)c1nn(C)cc1CNC1(CO)CCOCC1
InChIInChI=1S/C14H25N3O2/c1-11(2)13-12(9-17(3)16-13)8-15-14(10-18)4-6-19-7-5-14/h9,11,15,18H,4-8,10H2,1-3H3
InChIKeyVFULZDOVZAKITH-UHFFFAOYSA-N
XLogP1.17
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol?
The IUPAC name of [4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol (CID 106297060) is [4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol is CC(C)c1nn(C)cc1CNC1(CO)CCOCC1.
What is the InChIKey of [4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol?
The InChIKey is VFULZDOVZAKITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)13-12(9-17(3)16-13)8-15-14(10-18)4-6-19-7-5-14/h9,11,15,18H,4-8,10H2,1-3H3.
What are the key properties of [4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol?
[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol has a molecular weight of 267.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]oxan-4-yl]methanol is sourced from PubChem (CID 106297060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).