3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide

C9H13N3O5 — CID 135976433

IUPAC3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide
SMILESC[C@H]1OC(c2n[nH]c(C(N)=O)c2O)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H13N3O5/c1-2-5(13)7(15)8(17-2)3-6(14)4(9(10)16)12-11-3/h2,5,7-8,13-15H,1H3,(H2,10,16)(H,11,12)/t2-,5-,7-,8?/m1/s1
InChIKeyZDFJFGFVFKMTSC-DVTKSOTASA-N
MW243.22 g/mol
LogP-1.60
Rot. Bonds2

About 3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide

3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide (PubChem CID 135976433) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide
PubChem CID135976433
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide
SMILESC[C@H]1OC(c2n[nH]c(C(N)=O)c2O)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H13N3O5/c1-2-5(13)7(15)8(17-2)3-6(14)4(9(10)16)12-11-3/h2,5,7-8,13-15H,1H3,(H2,10,16)(H,11,12)/t2-,5-,7-,8?/m1/s1
InChIKeyZDFJFGFVFKMTSC-DVTKSOTASA-N
XLogP-1.60
TPSA141.69 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide (CID 135976433) is 3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide is C[C@H]1OC(c2n[nH]c(C(N)=O)c2O)[C@H](O)[C@@H]1O.
What is the InChIKey of 3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide?
The InChIKey is ZDFJFGFVFKMTSC-DVTKSOTASA-N. The full InChI is InChI=1S/C9H13N3O5/c1-2-5(13)7(15)8(17-2)3-6(14)4(9(10)16)12-11-3/h2,5,7-8,13-15H,1H3,(H2,10,16)(H,11,12)/t2-,5-,7-,8?/m1/s1.
What are the key properties of 3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide?
3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide has a molecular weight of 243.22 g/mol, XLogP of -1.60, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135976433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).