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

C7H5ClN4O2 — CID 96612807

IUPAC5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccn[nH]2)n[nH]c1Cl
InChIInChI=1S/C7H5ClN4O2/c8-6-4(7(13)14)5(11-12-6)3-1-2-9-10-3/h1-2H,(H,9,10)(H,11,12)(H,13,14)
InChIKeyGUPYYDPLDDCZTI-UHFFFAOYSA-N
MW212.60 g/mol
LogP1.15
Rot. Bonds2

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

5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 96612807) has the molecular formula C7H5ClN4O2 and a molecular weight of 212.60 g/mol. Its IUPAC name is 5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID96612807
Molecular FormulaC7H5ClN4O2
Molecular Weight212.60 g/mol
Exact Mass212.01
IUPAC Name5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccn[nH]2)n[nH]c1Cl
InChIInChI=1S/C7H5ClN4O2/c8-6-4(7(13)14)5(11-12-6)3-1-2-9-10-3/h1-2H,(H,9,10)(H,11,12)(H,13,14)
InChIKeyGUPYYDPLDDCZTI-UHFFFAOYSA-N
XLogP1.15
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82297653
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CID 82298915
2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid
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CID 82404241
2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid
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CID 158581218
[2-chloro-4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl] acetate
CID 175274007
3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid
CID 154069923
3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
CID 107049512
5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
CID 83532093
dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid
CID 158864481
5-(4-chlorophenyl)-1H-pyrazole
CID 714291

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid (CID 96612807) is 5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1c(-c2ccn[nH]2)n[nH]c1Cl.
What is the InChIKey of 5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is GUPYYDPLDDCZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O2/c8-6-4(7(13)14)5(11-12-6)3-1-2-9-10-3/h1-2H,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid?
5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 212.60 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 96612807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).