1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid

C13H13ClN2O3 — CID 82361205

IUPAC1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1-c1cc(Cl)ccc1O
InChIInChI=1S/C13H13ClN2O3/c1-2-3-10-9(13(18)19)7-15-16(10)11-6-8(14)4-5-12(11)17/h4-7,17H,2-3H2,1H3,(H,18,19)
InChIKeyKRUIRODHHBMLEW-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.88
Rot. Bonds4

About 1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid

1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid (PubChem CID 82361205) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
PubChem CID82361205
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1-c1cc(Cl)ccc1O
InChIInChI=1S/C13H13ClN2O3/c1-2-3-10-9(13(18)19)7-15-16(10)11-6-8(14)4-5-12(11)17/h4-7,17H,2-3H2,1H3,(H,18,19)
InChIKeyKRUIRODHHBMLEW-UHFFFAOYSA-N
XLogP2.88
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid (CID 82361205) is 1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid is CCCc1c(C(=O)O)cnn1-c1cc(Cl)ccc1O.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid?
The InChIKey is KRUIRODHHBMLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-2-3-10-9(13(18)19)7-15-16(10)11-6-8(14)4-5-12(11)17/h4-7,17H,2-3H2,1H3,(H,18,19).
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid?
1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid has a molecular weight of 280.71 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82361205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).