[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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Related Compounds

1-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 53561114
2-[5-(6-methyl-2-propylpyrimidin-4-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56877826
1-methyl-3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 13861132
(1S)-1-(1-methylimidazol-2-yl)-2-[[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethanol
CID 30869034
2-[5-(3,6-dimethylpyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56741955
2-ethyl-4-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56871387
2-[3,5-dimethyl-4-({methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}methyl)-1H-pyrazol-1-yl]ethanol
CID 77082676
N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 91833629
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylmethanamine
CID 118784169
4-[3-(1-ethyl-1H-pyrazol-5-yl)-1-methyl-1H-1,2,4-triazol-5-yl]morpholine
CID 121509247
1-(1-ethyl-1H-pyrazol-3-yl)-N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
CID 129615499
2-Methyl-1-[5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-1-yl]propan-2-ol
CID 131923654

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).