3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole

C12H20N2O — CID 122630976

IUPAC3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole
SMILESCc1cc(C(C)C)n(C2CCOCC2)n1
InChIInChI=1S/C12H20N2O/c1-9(2)12-8-10(3)13-14(12)11-4-6-15-7-5-11/h8-9,11H,4-7H2,1-3H3
InChIKeyPULZWGNDDNOWBX-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.67
Rot. Bonds2

About 3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole

3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole (PubChem CID 122630976) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole
PubChem CID122630976
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole
SMILESCc1cc(C(C)C)n(C2CCOCC2)n1
InChIInChI=1S/C12H20N2O/c1-9(2)12-8-10(3)13-14(12)11-4-6-15-7-5-11/h8-9,11H,4-7H2,1-3H3
InChIKeyPULZWGNDDNOWBX-UHFFFAOYSA-N
XLogP2.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole
CID 170965692
(1-cyclobutyl-5-propan-2-ylpyrazol-3-yl)methanamine
CID 115019603
4-methyl-1-(oxolan-3-yl)-5-propan-2-ylpyrazole
CID 174248923
3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine
CID 43608853
1-(oxan-4-yl)-4-propan-2-ylimidazole
CID 89408707
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 105147665
5-methyl-1-(oxan-4-yl)pyrazol-4-amine
CID 69281503
1-cyclopropyl-5-propan-2-yltriazole
CID 166500050
5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
CID 172907955
2-cyclopentyl-5-methylpyrazol-3-amine
CID 3152524
2-methyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709222
5-bromo-1-cyclohexyl-3-methylpyrazole
CID 82386636

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole?
The IUPAC name of 3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole (CID 122630976) is 3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole is Cc1cc(C(C)C)n(C2CCOCC2)n1.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole?
The InChIKey is PULZWGNDDNOWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)12-8-10(3)13-14(12)11-4-6-15-7-5-11/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole?
3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole has a molecular weight of 208.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole is sourced from PubChem (CID 122630976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).