1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide

C9H13N3O5 — CID 11345532

IUPAC1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(C2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C9H13N3O5/c10-8(16)4-1-2-12(11-4)9-7(15)6(14)5(3-13)17-9/h1-2,5-7,9,13-15H,3H2,(H2,10,16)/t5-,6-,7-,9?/m1/s1
InChIKeyOCPXZZGFLZCBGH-PILSHRGASA-N
MW243.22 g/mol
LogP-2.41
Rot. Bonds3

About 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide

1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide (PubChem CID 11345532) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide
PubChem CID11345532
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(C2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C9H13N3O5/c10-8(16)4-1-2-12(11-4)9-7(15)6(14)5(3-13)17-9/h1-2,5-7,9,13-15H,3H2,(H2,10,16)/t5-,6-,7-,9?/m1/s1
InChIKeyOCPXZZGFLZCBGH-PILSHRGASA-N
XLogP-2.41
TPSA130.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-2.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide (CID 11345532) is 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide is NC(=O)c1ccn(C2O[C@H](CO)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide?
The InChIKey is OCPXZZGFLZCBGH-PILSHRGASA-N. The full InChI is InChI=1S/C9H13N3O5/c10-8(16)4-1-2-12(11-4)9-7(15)6(14)5(3-13)17-9/h1-2,5-7,9,13-15H,3H2,(H2,10,16)/t5-,6-,7-,9?/m1/s1.
What are the key properties of 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide?
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide has a molecular weight of 243.22 g/mol, XLogP of -2.41, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 11345532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).