4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid

C8H8N4O2 — CID 123738661

IUPAC4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid
SMILESCc1cn(-c2cn[nH]c2)nc1C(=O)O
InChIInChI=1S/C8H8N4O2/c1-5-4-12(6-2-9-10-3-6)11-7(5)8(13)14/h2-4H,1H3,(H,9,10)(H,13,14)
InChIKeyGXOXFSCDQVTKQA-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.60
Rot. Bonds2

About 4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid

4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid (PubChem CID 123738661) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid
PubChem CID123738661
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid
SMILESCc1cn(-c2cn[nH]c2)nc1C(=O)O
InChIInChI=1S/C8H8N4O2/c1-5-4-12(6-2-9-10-3-6)11-7(5)8(13)14/h2-4H,1H3,(H,9,10)(H,13,14)
InChIKeyGXOXFSCDQVTKQA-UHFFFAOYSA-N
XLogP0.60
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid (CID 123738661) is 4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid is Cc1cn(-c2cn[nH]c2)nc1C(=O)O.
What is the InChIKey of 4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is GXOXFSCDQVTKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5-4-12(6-2-9-10-3-6)11-7(5)8(13)14/h2-4H,1H3,(H,9,10)(H,13,14).
What are the key properties of 4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid?
4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 192.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1H-pyrazol-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 123738661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).