1-methyl-4-(oxan-2-ylmethoxy)pyrazole

C10H16N2O2 — CID 116793926

IUPAC1-methyl-4-(oxan-2-ylmethoxy)pyrazole
SMILESCn1cc(OCC2CCCCO2)cn1
InChIInChI=1S/C10H16N2O2/c1-12-7-10(6-11-12)14-8-9-4-2-3-5-13-9/h6-7,9H,2-5,8H2,1H3
InChIKeyQXDCSOXLQDVKAI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.37
Rot. Bonds3

About 1-methyl-4-(oxan-2-ylmethoxy)pyrazole

1-methyl-4-(oxan-2-ylmethoxy)pyrazole (PubChem CID 116793926) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methyl-4-(oxan-2-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(oxan-2-ylmethoxy)pyrazole
PubChem CID116793926
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-methyl-4-(oxan-2-ylmethoxy)pyrazole
SMILESCn1cc(OCC2CCCCO2)cn1
InChIInChI=1S/C10H16N2O2/c1-12-7-10(6-11-12)14-8-9-4-2-3-5-13-9/h6-7,9H,2-5,8H2,1H3
InChIKeyQXDCSOXLQDVKAI-UHFFFAOYSA-N
XLogP1.37
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(oxolan-2-ylmethoxy)pyrazole
CID 116794075
2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 116794099
1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
CID 125177372
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
3-(4-methylpyrazol-1-yl)-N-[4-[[(2R)-oxan-2-yl]methoxy]phenyl]propanamide
CID 164641994
4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine
CID 114608454
1-methyl-N-[2-(oxolan-2-yl)ethyl]pyrazol-4-amine
CID 79770820
5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole
CID 95265259
2-[(4-chloro-3-fluorophenoxy)methyl]oxane
CID 82705903
2-bromo-5-(oxolan-2-ylmethoxy)pyridine
CID 104853752
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120922716
6-methyl-2-(oxan-2-ylmethoxy)furo[2,3-d]pyrimidine
CID 142960191

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxan-2-ylmethoxy)pyrazole?
The IUPAC name of 1-methyl-4-(oxan-2-ylmethoxy)pyrazole (CID 116793926) is 1-methyl-4-(oxan-2-ylmethoxy)pyrazole.
What is the SMILES notation for 1-methyl-4-(oxan-2-ylmethoxy)pyrazole?
The canonical SMILES for 1-methyl-4-(oxan-2-ylmethoxy)pyrazole is Cn1cc(OCC2CCCCO2)cn1.
What is the InChIKey of 1-methyl-4-(oxan-2-ylmethoxy)pyrazole?
The InChIKey is QXDCSOXLQDVKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12-7-10(6-11-12)14-8-9-4-2-3-5-13-9/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-methyl-4-(oxan-2-ylmethoxy)pyrazole?
1-methyl-4-(oxan-2-ylmethoxy)pyrazole has a molecular weight of 196.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxan-2-ylmethoxy)pyrazole is sourced from PubChem (CID 116793926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).