1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole

C9H14N2O — CID 145143851

IUPAC1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole
SMILESC[C@H]1CC[C@@H](Cn2cccn2)O1
InChIInChI=1S/C9H14N2O/c1-8-3-4-9(12-8)7-11-6-2-5-10-11/h2,5-6,8-9H,3-4,7H2,1H3/t8-,9-/m0/s1
InChIKeyBSNODJFCRXHYFF-IUCAKERBSA-N
MW166.22 g/mol
LogP1.45
Rot. Bonds2

About 1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole

1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole (PubChem CID 145143851) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole
PubChem CID145143851
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole
SMILESC[C@H]1CC[C@@H](Cn2cccn2)O1
InChIInChI=1S/C9H14N2O/c1-8-3-4-9(12-8)7-11-6-2-5-10-11/h2,5-6,8-9H,3-4,7H2,1H3/t8-,9-/m0/s1
InChIKeyBSNODJFCRXHYFF-IUCAKERBSA-N
XLogP1.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyloxolan-2-yl)methyl]imidazole
CID 103140191
1-(1,3-dioxan-4-ylmethyl)pyrazole
CID 130668729
N-[(5-methyloxolan-2-yl)methyl]pyrrol-1-amine
CID 82836284
2,6-dimethyl-4-(2-pyrazol-1-ylethyl)morpholine
CID 172900914
N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine
CID 103139387
1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one
CID 130538368
2-methyl-6-(2-pyrazol-1-ylethoxymethyl)morpholine
CID 102633992
1-(pyrrolidin-2-ylmethyl)pyrazole
CID 25220770
2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine
CID 103140670
3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one
CID 103136893
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]pyrazole
CID 129497522
(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100842326

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole?
The IUPAC name of 1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole (CID 145143851) is 1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole.
What is the SMILES notation for 1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole?
The canonical SMILES for 1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole is C[C@H]1CC[C@@H](Cn2cccn2)O1.
What is the InChIKey of 1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole?
The InChIKey is BSNODJFCRXHYFF-IUCAKERBSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8-3-4-9(12-8)7-11-6-2-5-10-11/h2,5-6,8-9H,3-4,7H2,1H3/t8-,9-/m0/s1.
What are the key properties of 1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole?
1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole has a molecular weight of 166.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole is sourced from PubChem (CID 145143851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).