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

C11H16N4O — CID 64773308

IUPAC[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol
SMILESCC(C)n1ccc(Cn2ccnc2CO)n1
InChIInChI=1S/C11H16N4O/c1-9(2)15-5-3-10(13-15)7-14-6-4-12-11(14)8-16/h3-6,9,16H,7-8H2,1-2H3
InChIKeyBAZLKRJLGLFTGV-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.20
Rot. Bonds4

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

[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol (PubChem CID 64773308) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is [1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol
PubChem CID64773308
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol
SMILESCC(C)n1ccc(Cn2ccnc2CO)n1
InChIInChI=1S/C11H16N4O/c1-9(2)15-5-3-10(13-15)7-14-6-4-12-11(14)8-16/h3-6,9,16H,7-8H2,1-2H3
InChIKeyBAZLKRJLGLFTGV-UHFFFAOYSA-N
XLogP1.20
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol?
The IUPAC name of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol (CID 64773308) is [1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol.
What is the SMILES notation for [1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol?
The canonical SMILES for [1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol is CC(C)n1ccc(Cn2ccnc2CO)n1.
What is the InChIKey of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol?
The InChIKey is BAZLKRJLGLFTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9(2)15-5-3-10(13-15)7-14-6-4-12-11(14)8-16/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol?
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol has a molecular weight of 220.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methanol is sourced from PubChem (CID 64773308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).