3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

C8H8N4O2 — CID 83395844

IUPAC3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1[nH]ncc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C8H8N4O2/c1-4-5(3-9-10-4)6-2-7(8(13)14)12-11-6/h2-3H,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyLHJRHKRBHNKKMS-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.81
Rot. Bonds2

About 3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 83395844) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID83395844
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1[nH]ncc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C8H8N4O2/c1-4-5(3-9-10-4)6-2-7(8(13)14)12-11-6/h2-3H,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyLHJRHKRBHNKKMS-UHFFFAOYSA-N
XLogP0.81
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid
CID 64592995
3-(5-carboxy-2,3-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117404379
3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137013113
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 118172974
3-(2-chloro-3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117384630
3-(3-chloro-2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 136991923
3-(4-tert-butyl-5-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117438355
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070
3-(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117404383
3-[3-[(dimethylamino)methyl]-4-hydroxy-2-methylphenyl]-1H-pyrazole-5-carboxylic acid
CID 136931921
3-(3-bromo-2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495825

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid (CID 83395844) is 3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid is Cc1[nH]ncc1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is LHJRHKRBHNKKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-4-5(3-9-10-4)6-2-7(8(13)14)12-11-6/h2-3H,1H3,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 192.18 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 83395844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).