1-(hydroxymethyl)pyrazole-3-carboxylic acid

C5H6N2O3 — CID 7017625

IUPAC1-(hydroxymethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(CO)n1
InChIInChI=1S/C5H6N2O3/c8-3-7-2-1-4(6-7)5(9)10/h1-2,8H,3H2,(H,9,10)
InChIKeyOGPOFIOGUMQLPN-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.47
Rot. Bonds2

About 1-(hydroxymethyl)pyrazole-3-carboxylic acid

1-(hydroxymethyl)pyrazole-3-carboxylic acid (PubChem CID 7017625) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 1-(hydroxymethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(hydroxymethyl)pyrazole-3-carboxylic acid
PubChem CID7017625
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name1-(hydroxymethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(CO)n1
InChIInChI=1S/C5H6N2O3/c8-3-7-2-1-4(6-7)5(9)10/h1-2,8H,3H2,(H,9,10)
InChIKeyOGPOFIOGUMQLPN-UHFFFAOYSA-N
XLogP-0.47
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(hydroxymethyl)pyrazole-3-carboxylic acid (CID 7017625) is 1-(hydroxymethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(hydroxymethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(hydroxymethyl)pyrazole-3-carboxylic acid is O=C(O)c1ccn(CO)n1.
What is the InChIKey of 1-(hydroxymethyl)pyrazole-3-carboxylic acid?
The InChIKey is OGPOFIOGUMQLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c8-3-7-2-1-4(6-7)5(9)10/h1-2,8H,3H2,(H,9,10).
What are the key properties of 1-(hydroxymethyl)pyrazole-3-carboxylic acid?
1-(hydroxymethyl)pyrazole-3-carboxylic acid has a molecular weight of 142.11 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 7017625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).