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4-(2-methyloxan-4-yl)oxy-1H-pyrazole

C9H14N2O2 — CID 151222380

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(2-methyloxan-4-yl)oxy-1H-pyrazole
SMILESCC1CC(Oc2cn[nH]c2)CCO1
InChIInChI=1S/C9H14N2O2/c1-7-4-8(2-3-12-7)13-9-5-10-11-6-9/h5-8H,2-4H2,1H3,(H,10,11)
InChIKeyNMOGDPZHFBIBCG-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.36
Rot. Bonds2

About 4-(2-methyloxan-4-yl)oxy-1H-pyrazole

4-(2-methyloxan-4-yl)oxy-1H-pyrazole (PubChem CID 151222380) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(2-methyloxan-4-yl)oxy-1H-pyrazole.

Molecular Properties

Compound Name4-(2-methyloxan-4-yl)oxy-1H-pyrazole
PubChem CID151222380
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(2-methyloxan-4-yl)oxy-1H-pyrazole
SMILESCC1CC(Oc2cn[nH]c2)CCO1
InChIInChI=1S/C9H14N2O2/c1-7-4-8(2-3-12-7)13-9-5-10-11-6-9/h5-8H,2-4H2,1H3,(H,10,11)
InChIKeyNMOGDPZHFBIBCG-UHFFFAOYSA-N
XLogP1.36
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyloxan-4-yl)oxy-1H-pyrazole?
The IUPAC name of 4-(2-methyloxan-4-yl)oxy-1H-pyrazole (CID 151222380) is 4-(2-methyloxan-4-yl)oxy-1H-pyrazole.
What is the SMILES notation for 4-(2-methyloxan-4-yl)oxy-1H-pyrazole?
The canonical SMILES for 4-(2-methyloxan-4-yl)oxy-1H-pyrazole is CC1CC(Oc2cn[nH]c2)CCO1.
What is the InChIKey of 4-(2-methyloxan-4-yl)oxy-1H-pyrazole?
The InChIKey is NMOGDPZHFBIBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-4-8(2-3-12-7)13-9-5-10-11-6-9/h5-8H,2-4H2,1H3,(H,10,11).
What are the key properties of 4-(2-methyloxan-4-yl)oxy-1H-pyrazole?
4-(2-methyloxan-4-yl)oxy-1H-pyrazole has a molecular weight of 182.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyloxan-4-yl)oxy-1H-pyrazole is sourced from PubChem (CID 151222380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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