4-hydroxy-1-methylpyrazole-3-carboxylic acid

C5H6N2O3 — CID 82418016

IUPAC4-hydroxy-1-methylpyrazole-3-carboxylic acid
SMILESCn1cc(O)c(C(=O)O)n1
InChIInChI=1S/C5H6N2O3/c1-7-2-3(8)4(6-7)5(9)10/h2,8H,1H3,(H,9,10)
InChIKeyNMTJRPWXNJNNIC-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.18
Rot. Bonds1

About 4-hydroxy-1-methylpyrazole-3-carboxylic acid

4-hydroxy-1-methylpyrazole-3-carboxylic acid (PubChem CID 82418016) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 4-hydroxy-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-methylpyrazole-3-carboxylic acid
PubChem CID82418016
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name4-hydroxy-1-methylpyrazole-3-carboxylic acid
SMILESCn1cc(O)c(C(=O)O)n1
InChIInChI=1S/C5H6N2O3/c1-7-2-3(8)4(6-7)5(9)10/h2,8H,1H3,(H,9,10)
InChIKeyNMTJRPWXNJNNIC-UHFFFAOYSA-N
XLogP-0.18
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-methylpyrazole-3-carboxylic acid (CID 82418016) is 4-hydroxy-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-methylpyrazole-3-carboxylic acid is Cn1cc(O)c(C(=O)O)n1.
What is the InChIKey of 4-hydroxy-1-methylpyrazole-3-carboxylic acid?
The InChIKey is NMTJRPWXNJNNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-7-2-3(8)4(6-7)5(9)10/h2,8H,1H3,(H,9,10).
What are the key properties of 4-hydroxy-1-methylpyrazole-3-carboxylic acid?
4-hydroxy-1-methylpyrazole-3-carboxylic acid has a molecular weight of 142.11 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82418016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).