1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid

C7H10N2O4 — CID 82851071

IUPAC1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(CC(O)CO)n1
InChIInChI=1S/C7H10N2O4/c10-4-5(11)3-9-2-1-6(8-9)7(12)13/h1-2,5,10-11H,3-4H2,(H,12,13)
InChIKeyAVRFKKDOCFSZSY-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.07
Rot. Bonds4

About 1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid

1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid (PubChem CID 82851071) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid
PubChem CID82851071
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(CC(O)CO)n1
InChIInChI=1S/C7H10N2O4/c10-4-5(11)3-9-2-1-6(8-9)7(12)13/h1-2,5,10-11H,3-4H2,(H,12,13)
InChIKeyAVRFKKDOCFSZSY-UHFFFAOYSA-N
XLogP-1.07
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid (CID 82851071) is 1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid is O=C(O)c1ccn(CC(O)CO)n1.
What is the InChIKey of 1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid?
The InChIKey is AVRFKKDOCFSZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c10-4-5(11)3-9-2-1-6(8-9)7(12)13/h1-2,5,10-11H,3-4H2,(H,12,13).
What are the key properties of 1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid?
1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid has a molecular weight of 186.17 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82851071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).