1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole

C11H16N4O — CID 116805369

IUPAC1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole
SMILESCC(C)n1cc(OCc2nccn2C)cn1
InChIInChI=1S/C11H16N4O/c1-9(2)15-7-10(6-13-15)16-8-11-12-4-5-14(11)3/h4-7,9H,8H2,1-3H3
InChIKeyUPNQOTQGDQETPX-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.78
Rot. Bonds4

About 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole

1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole (PubChem CID 116805369) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole
PubChem CID116805369
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole
SMILESCC(C)n1cc(OCc2nccn2C)cn1
InChIInChI=1S/C11H16N4O/c1-9(2)15-7-10(6-13-15)16-8-11-12-4-5-14(11)3/h4-7,9H,8H2,1-3H3
InChIKeyUPNQOTQGDQETPX-UHFFFAOYSA-N
XLogP1.78
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805404
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60880817
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine
CID 114608538
2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine
CID 116805488
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 75427713
4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805220
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one
CID 116805480
(2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276258

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole?
The IUPAC name of 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole (CID 116805369) is 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole.
What is the SMILES notation for 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole?
The canonical SMILES for 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole is CC(C)n1cc(OCc2nccn2C)cn1.
What is the InChIKey of 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole?
The InChIKey is UPNQOTQGDQETPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9(2)15-7-10(6-13-15)16-8-11-12-4-5-14(11)3/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole?
1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole has a molecular weight of 220.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole is sourced from PubChem (CID 116805369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).