1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole

C10H16N2O — CID 176980655

IUPAC1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole
SMILESCC(C)c1ccnn1CC1COC1
InChIInChI=1S/C10H16N2O/c1-8(2)10-3-4-11-12(10)5-9-6-13-7-9/h3-4,8-9H,5-7H2,1-2H3
InChIKeyJKPVJAHFOSUEHC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.65
Rot. Bonds3

About 1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole

1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole (PubChem CID 176980655) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole
PubChem CID176980655
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole
SMILESCC(C)c1ccnn1CC1COC1
InChIInChI=1S/C10H16N2O/c1-8(2)10-3-4-11-12(10)5-9-6-13-7-9/h3-4,8-9H,5-7H2,1-2H3
InChIKeyJKPVJAHFOSUEHC-UHFFFAOYSA-N
XLogP1.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide
CID 86867503
2-(cyclopropylmethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921793
2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid
CID 84780605
1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987048
6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine
CID 134555282
ethane;2-[2-(5-propan-2-ylpyrazol-1-yl)ethoxy]ethanol
CID 168904377
N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine
CID 115921786
1-ethyl-5-propan-2-yl-4-[(5-propan-2-ylpyrazol-1-yl)methyl]pyrazole
CID 155322261
(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol
CID 107192287
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
2-(cyclopropylmethyl)pyrazole-3-carbonitrile
CID 84649157
1-(azetidin-3-yl)-5-propan-2-ylpyrazole
CID 84764985

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole?
The IUPAC name of 1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole (CID 176980655) is 1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole.
What is the SMILES notation for 1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole?
The canonical SMILES for 1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole is CC(C)c1ccnn1CC1COC1.
What is the InChIKey of 1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole?
The InChIKey is JKPVJAHFOSUEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(2)10-3-4-11-12(10)5-9-6-13-7-9/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole?
1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole has a molecular weight of 180.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-ylmethyl)-5-propan-2-ylpyrazole is sourced from PubChem (CID 176980655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).