1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid

C8H8N4O2 — CID 79779409

IUPAC1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid
SMILESCn1cc(-n2ccc(C(=O)O)n2)cn1
InChIInChI=1S/C8H8N4O2/c1-11-5-6(4-9-11)12-3-2-7(10-12)8(13)14/h2-5H,1H3,(H,13,14)
InChIKeyUGSSWBSINGHISW-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.30
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid

1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid (PubChem CID 79779409) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid
PubChem CID79779409
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid
SMILESCn1cc(-n2ccc(C(=O)O)n2)cn1
InChIInChI=1S/C8H8N4O2/c1-11-5-6(4-9-11)12-3-2-7(10-12)8(13)14/h2-5H,1H3,(H,13,14)
InChIKeyUGSSWBSINGHISW-UHFFFAOYSA-N
XLogP0.30
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid (CID 79779409) is 1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid is Cn1cc(-n2ccc(C(=O)O)n2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is UGSSWBSINGHISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-11-5-6(4-9-11)12-3-2-7(10-12)8(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid?
1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 192.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 79779409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).