5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole

C10H16N2O — CID 59923399

IUPAC5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole
SMILESC[C@@H]1[C@H](C)[C@@H](c2ccn[nH]2)O[C@H]1C
InChIInChI=1S/C10H16N2O/c1-6-7(2)10(13-8(6)3)9-4-5-11-12-9/h4-8,10H,1-3H3,(H,11,12)/t6-,7+,8+,10+/m1/s1
InChIKeyYNAJVVCKCHCSAJ-VEVYYDQMSA-N
MW180.25 g/mol
LogP2.14
Rot. Bonds1

About 5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole

5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole (PubChem CID 59923399) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole
PubChem CID59923399
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole
SMILESC[C@@H]1[C@H](C)[C@@H](c2ccn[nH]2)O[C@H]1C
InChIInChI=1S/C10H16N2O/c1-6-7(2)10(13-8(6)3)9-4-5-11-12-9/h4-8,10H,1-3H3,(H,11,12)/t6-,7+,8+,10+/m1/s1
InChIKeyYNAJVVCKCHCSAJ-VEVYYDQMSA-N
XLogP2.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxolan-2-yl)-1H-pyrazole
CID 118097404
[5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine
CID 122163866
5-(5-azido-6-fluorooxepan-2-yl)-1H-pyrazole
CID 150365215
5-(5-azido-4-fluorooxepan-2-yl)-1H-pyrazole
CID 150894549
3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole
CID 170601880
(Z)-[1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ylidene]hydrazine
CID 134987202
4-(oxolan-3-yl)-5-propyl-1H-pyrazole
CID 57139432
[(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane
CID 59067630
5-[(3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole
CID 59927515
5-(oxan-2-yl)-1H-pyrazole
CID 66729536
4-[2-[cyclohexyl(1H-pyrazol-5-yl)methoxy]ethyl]morpholine;hydrochloride
CID 67992002
5-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 68657612

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole?
The IUPAC name of 5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole (CID 59923399) is 5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole is C[C@@H]1[C@H](C)[C@@H](c2ccn[nH]2)O[C@H]1C.
What is the InChIKey of 5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole?
The InChIKey is YNAJVVCKCHCSAJ-VEVYYDQMSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-7(2)10(13-8(6)3)9-4-5-11-12-9/h4-8,10H,1-3H3,(H,11,12)/t6-,7+,8+,10+/m1/s1.
What are the key properties of 5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole?
5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole has a molecular weight of 180.25 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole is sourced from PubChem (CID 59923399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).