[5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate

C11H18N3O9P — CID 135455444

IUPAC[5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate
SMILESCOP(=O)(OC)OCC1OC(c2n[nH]c(C(N)=O)c2O)C(O)C1O
InChIInChI=1S/C11H18N3O9P/c1-20-24(19,21-2)22-3-4-7(15)9(17)10(23-4)5-8(16)6(11(12)18)14-13-5/h4,7,9-10,15-17H,3H2,1-2H3,(H2,12,18)(H,13,14)
InChIKeyBZZHKADBDAZTIU-UHFFFAOYSA-N
MW367.25 g/mol
LogP-1.21
Rot. Bonds7

About [5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate

[5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate (PubChem CID 135455444) has the molecular formula C11H18N3O9P and a molecular weight of 367.25 g/mol. Its IUPAC name is [5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate.

Molecular Properties

Compound Name[5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate
PubChem CID135455444
Molecular FormulaC11H18N3O9P
Molecular Weight367.25 g/mol
Exact Mass367.08
IUPAC Name[5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate
SMILESCOP(=O)(OC)OCC1OC(c2n[nH]c(C(N)=O)c2O)C(O)C1O
InChIInChI=1S/C11H18N3O9P/c1-20-24(19,21-2)22-3-4-7(15)9(17)10(23-4)5-8(16)6(11(12)18)14-13-5/h4,7,9-10,15-17H,3H2,1-2H3,(H2,12,18)(H,13,14)
InChIKeyBZZHKADBDAZTIU-UHFFFAOYSA-N
XLogP-1.21
TPSA186.45 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 5-1.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methoxyphosphoryl] [hydroxy(methoxy)phosphoryl] methyl phosphate
CID 167189633
[[(2S,3R,4S,5S)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 90663693
4-amino-1H-imidazole-5-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 90027684
[(2R,3S,4R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl diethyl phosphate
CID 162481972
CID 155906115
CID 155906115
[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methoxyphosphoryl] [[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methoxyphosphoryl]oxy-methoxyphosphoryl] methyl phosphate
CID 88939636
methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
CID 89181885
5-[(2S,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 129264300
bis[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphoryl acetate
CID 146470911
[[(2R,3S,4R,5S)-5-[1-(2,2-dimethylpropanoyl)-2,4-dioxopyrimidin-5-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 146173718
5-[(2S,3S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 129144206
[[[(2R,3S,4R,5S)-5-(2-carbamoyl-1,3-oxazol-4-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxophosphaniumyl]oxy-trihydroxyphosphanium
CID 163443401

Frequently Asked Questions

What is the IUPAC name of [5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate?
The IUPAC name of [5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate (CID 135455444) is [5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate.
What is the SMILES notation for [5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate?
The canonical SMILES for [5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate is COP(=O)(OC)OCC1OC(c2n[nH]c(C(N)=O)c2O)C(O)C1O.
What is the InChIKey of [5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate?
The InChIKey is BZZHKADBDAZTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N3O9P/c1-20-24(19,21-2)22-3-4-7(15)9(17)10(23-4)5-8(16)6(11(12)18)14-13-5/h4,7,9-10,15-17H,3H2,1-2H3,(H2,12,18)(H,13,14).
What are the key properties of [5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate?
[5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate has a molecular weight of 367.25 g/mol, XLogP of -1.21, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethyl phosphate is sourced from PubChem (CID 135455444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).