5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide

C9H14N4O4 — CID 166394320

IUPAC5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide
SMILESCOC[C@@H](O)CNC(=O)c1cc(C(N)=O)n[nH]1
InChIInChI=1S/C9H14N4O4/c1-17-4-5(14)3-11-9(16)7-2-6(8(10)15)12-13-7/h2,5,14H,3-4H2,1H3,(H2,10,15)(H,11,16)(H,12,13)/t5-/m0/s1
InChIKeyIHXWIGICGRDMMX-YFKPBYRVSA-N
MW242.23 g/mol
LogP-1.75
Rot. Bonds6

About 5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide

5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide (PubChem CID 166394320) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide
PubChem CID166394320
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide
SMILESCOC[C@@H](O)CNC(=O)c1cc(C(N)=O)n[nH]1
InChIInChI=1S/C9H14N4O4/c1-17-4-5(14)3-11-9(16)7-2-6(8(10)15)12-13-7/h2,5,14H,3-4H2,1H3,(H2,10,15)(H,11,16)(H,12,13)/t5-/m0/s1
InChIKeyIHXWIGICGRDMMX-YFKPBYRVSA-N
XLogP-1.75
TPSA130.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide (CID 166394320) is 5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide is COC[C@@H](O)CNC(=O)c1cc(C(N)=O)n[nH]1.
What is the InChIKey of 5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide?
The InChIKey is IHXWIGICGRDMMX-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-17-4-5(14)3-11-9(16)7-2-6(8(10)15)12-13-7/h2,5,14H,3-4H2,1H3,(H2,10,15)(H,11,16)(H,12,13)/t5-/m0/s1.
What are the key properties of 5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide?
5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide has a molecular weight of 242.23 g/mol, XLogP of -1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2S)-2-hydroxy-3-methoxypropyl]-1H-pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 166394320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).