4-methyl-5-(oxan-4-yl)-1H-pyrazole

C9H14N2O — CID 144872646

IUPAC4-methyl-5-(oxan-4-yl)-1H-pyrazole
SMILESCc1cn[nH]c1C1CCOCC1
InChIInChI=1S/C9H14N2O/c1-7-6-10-11-9(7)8-2-4-12-5-3-8/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyKPSMGTVKZQHAIJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.61
Rot. Bonds1

About 4-methyl-5-(oxan-4-yl)-1H-pyrazole

4-methyl-5-(oxan-4-yl)-1H-pyrazole (PubChem CID 144872646) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-methyl-5-(oxan-4-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-methyl-5-(oxan-4-yl)-1H-pyrazole
PubChem CID144872646
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-methyl-5-(oxan-4-yl)-1H-pyrazole
SMILESCc1cn[nH]c1C1CCOCC1
InChIInChI=1S/C9H14N2O/c1-7-6-10-11-9(7)8-2-4-12-5-3-8/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyKPSMGTVKZQHAIJ-UHFFFAOYSA-N
XLogP1.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cycloundecyl-4-methyl-1H-pyrazole
CID 173176811
4-methyl-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 95841783
4-bromo-5-(oxan-4-yl)-1H-pyrazole
CID 83711956
1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone
CID 105448069
5-(oxan-4-yl)-1H-pyrazole-4-carbaldehyde
CID 82409142
[5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol
CID 121212017
2-(4-methyl-1H-pyrazol-5-yl)-1-(oxan-4-yl)piperidine
CID 110095176
5-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 154158234
3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine
CID 110132489
4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 125008735
5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole
CID 167799237
methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate
CID 121212036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(oxan-4-yl)-1H-pyrazole?
The IUPAC name of 4-methyl-5-(oxan-4-yl)-1H-pyrazole (CID 144872646) is 4-methyl-5-(oxan-4-yl)-1H-pyrazole.
What is the SMILES notation for 4-methyl-5-(oxan-4-yl)-1H-pyrazole?
The canonical SMILES for 4-methyl-5-(oxan-4-yl)-1H-pyrazole is Cc1cn[nH]c1C1CCOCC1.
What is the InChIKey of 4-methyl-5-(oxan-4-yl)-1H-pyrazole?
The InChIKey is KPSMGTVKZQHAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-6-10-11-9(7)8-2-4-12-5-3-8/h6,8H,2-5H2,1H3,(H,10,11).
What are the key properties of 4-methyl-5-(oxan-4-yl)-1H-pyrazole?
4-methyl-5-(oxan-4-yl)-1H-pyrazole has a molecular weight of 166.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(oxan-4-yl)-1H-pyrazole is sourced from PubChem (CID 144872646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).