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

C9H14N2O2 — CID 116794075

IUPAC1-methyl-4-(oxolan-2-ylmethoxy)pyrazole
SMILESCn1cc(OCC2CCCO2)cn1
InChIInChI=1S/C9H14N2O2/c1-11-6-9(5-10-11)13-7-8-3-2-4-12-8/h5-6,8H,2-4,7H2,1H3
InChIKeyROASCORMRVKAHF-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.98
Rot. Bonds3

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

1-methyl-4-(oxolan-2-ylmethoxy)pyrazole (PubChem CID 116794075) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-methyl-4-(oxolan-2-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(oxolan-2-ylmethoxy)pyrazole
PubChem CID116794075
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-methyl-4-(oxolan-2-ylmethoxy)pyrazole
SMILESCn1cc(OCC2CCCO2)cn1
InChIInChI=1S/C9H14N2O2/c1-11-6-9(5-10-11)13-7-8-3-2-4-12-8/h5-6,8H,2-4,7H2,1H3
InChIKeyROASCORMRVKAHF-UHFFFAOYSA-N
XLogP0.98
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(oxan-2-ylmethoxy)pyrazole
CID 116793926
2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 116794099
1-methyl-N-[2-(oxolan-2-yl)ethyl]pyrazol-4-amine
CID 79770820
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
4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine
CID 114608454
5-[[(2R)-oxolan-2-yl]methoxy]pyridin-3-amine
CID 124569752
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxolan-2-ylmethoxy)pyrazole?
The IUPAC name of 1-methyl-4-(oxolan-2-ylmethoxy)pyrazole (CID 116794075) is 1-methyl-4-(oxolan-2-ylmethoxy)pyrazole.
What is the SMILES notation for 1-methyl-4-(oxolan-2-ylmethoxy)pyrazole?
The canonical SMILES for 1-methyl-4-(oxolan-2-ylmethoxy)pyrazole is Cn1cc(OCC2CCCO2)cn1.
What is the InChIKey of 1-methyl-4-(oxolan-2-ylmethoxy)pyrazole?
The InChIKey is ROASCORMRVKAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11-6-9(5-10-11)13-7-8-3-2-4-12-8/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 1-methyl-4-(oxolan-2-ylmethoxy)pyrazole?
1-methyl-4-(oxolan-2-ylmethoxy)pyrazole has a molecular weight of 182.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxolan-2-ylmethoxy)pyrazole is sourced from PubChem (CID 116794075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).