1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid

C8H8N4O2 — CID 58972849

IUPAC1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1-n1cccn1
InChIInChI=1S/C8H8N4O2/c1-11-7(12-4-2-3-9-12)6(5-10-11)8(13)14/h2-5H,1H3,(H,13,14)
InChIKeyHLDCFLUQRBTNJX-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.30
Rot. Bonds2

About 1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid

1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid (PubChem CID 58972849) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid
PubChem CID58972849
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1-n1cccn1
InChIInChI=1S/C8H8N4O2/c1-11-7(12-4-2-3-9-12)6(5-10-11)8(13)14/h2-5H,1H3,(H,13,14)
InChIKeyHLDCFLUQRBTNJX-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

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Related Compounds

1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid
CID 69159846
1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid
CID 146457308
5-(2,5-dioxopyrrol-1-yl)-1-methylpyrazole-4-carboxylic acid
CID 24700543
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid
CID 69158990
5-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 24711422
1-methyl-5-pyridin-2-ylpyrazole-4-carboxylic acid
CID 83819574
2-methylbenzene-1,3-dicarboxylic acid;1-phenylpyrazole
CID 175305227
5-formyl-1-methylpyrazole-4-carboxylic acid
CID 82416715
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl fluoride
CID 58724547
1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid
CID 54905266

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid (CID 58972849) is 1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1-n1cccn1.
What is the InChIKey of 1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid?
The InChIKey is HLDCFLUQRBTNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-11-7(12-4-2-3-9-12)6(5-10-11)8(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid?
1-methyl-5-pyrazol-1-ylpyrazole-4-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-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 58972849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).