4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid

C11H7N3O3 — CID 59478022

IUPAC4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid
SMILESN#Cc1ccn(-c2ccc(C(=O)O)c(O)c2)n1
InChIInChI=1S/C11H7N3O3/c12-6-7-3-4-14(13-7)8-1-2-9(11(16)17)10(15)5-8/h1-5,15H,(H,16,17)
InChIKeyMHSGYJHSJDKZDQ-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.15
Rot. Bonds2

About 4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid

4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid (PubChem CID 59478022) has the molecular formula C11H7N3O3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid
PubChem CID59478022
Molecular FormulaC11H7N3O3
Molecular Weight229.20 g/mol
Exact Mass229.05
IUPAC Name4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid
SMILESN#Cc1ccn(-c2ccc(C(=O)O)c(O)c2)n1
InChIInChI=1S/C11H7N3O3/c12-6-7-3-4-14(13-7)8-1-2-9(11(16)17)10(15)5-8/h1-5,15H,(H,16,17)
InChIKeyMHSGYJHSJDKZDQ-UHFFFAOYSA-N
XLogP1.15
TPSA99.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid (CID 59478022) is 4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid is N#Cc1ccn(-c2ccc(C(=O)O)c(O)c2)n1.
What is the InChIKey of 4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid?
The InChIKey is MHSGYJHSJDKZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O3/c12-6-7-3-4-14(13-7)8-1-2-9(11(16)17)10(15)5-8/h1-5,15H,(H,16,17).
What are the key properties of 4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid?
4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid has a molecular weight of 229.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanopyrazol-1-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 59478022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).