[(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane

C9H15N2O2P — CID 59067630

IUPAC[(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane
SMILESC[C@H]1[C@H](C)OC(c2ccn[nH]2)[C@H]1OP
InChIInChI=1S/C9H15N2O2P/c1-5-6(2)12-9(8(5)13-14)7-3-4-10-11-7/h3-6,8-9H,14H2,1-2H3,(H,10,11)/t5-,6-,8-,9?/m0/s1
InChIKeyIZAKWYNDGKZMPW-NBZYZMMFSA-N
MW214.21 g/mol
LogP1.68
Rot. Bonds2

About [(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane

[(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane (PubChem CID 59067630) has the molecular formula C9H15N2O2P and a molecular weight of 214.21 g/mol. Its IUPAC name is [(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane.

Molecular Properties

Compound Name[(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane
PubChem CID59067630
Molecular FormulaC9H15N2O2P
Molecular Weight214.21 g/mol
Exact Mass214.09
IUPAC Name[(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane
SMILESC[C@H]1[C@H](C)OC(c2ccn[nH]2)[C@H]1OP
InChIInChI=1S/C9H15N2O2P/c1-5-6(2)12-9(8(5)13-14)7-3-4-10-11-7/h3-6,8-9H,14H2,1-2H3,(H,10,11)/t5-,6-,8-,9?/m0/s1
InChIKeyIZAKWYNDGKZMPW-NBZYZMMFSA-N
XLogP1.68
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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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
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol
CID 10750516
5-[(2S,3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole
CID 59923399
5-[(3S,4R,5S)-3,4,5-trimethyloxolan-2-yl]-1H-pyrazole
CID 59927515
[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 91200099
[(2R,3R,4S,5S)-3,4-diacetyloxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl acetate
CID 91455904
5-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole
CID 122522361
(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol
CID 129681802
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole
CID 134398097
(S)-3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole
CID 139329354
5-(7-oxabicyclo[2.2.1]heptan-1-yl)-1H-pyrazole
CID 170756203

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane?
The IUPAC name of [(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane (CID 59067630) is [(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane.
What is the SMILES notation for [(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane?
The canonical SMILES for [(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane is C[C@H]1[C@H](C)OC(c2ccn[nH]2)[C@H]1OP.
What is the InChIKey of [(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane?
The InChIKey is IZAKWYNDGKZMPW-NBZYZMMFSA-N. The full InChI is InChI=1S/C9H15N2O2P/c1-5-6(2)12-9(8(5)13-14)7-3-4-10-11-7/h3-6,8-9H,14H2,1-2H3,(H,10,11)/t5-,6-,8-,9?/m0/s1.
What are the key properties of [(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane?
[(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane has a molecular weight of 214.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane is sourced from PubChem (CID 59067630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).