1-(3-cyanophenyl)pyrazole-4-carboxylic acid

C11H7N3O2 — CID 43542927

IUPAC1-(3-cyanophenyl)pyrazole-4-carboxylic acid
SMILESN#Cc1cccc(-n2cc(C(=O)O)cn2)c1
InChIInChI=1S/C11H7N3O2/c12-5-8-2-1-3-10(4-8)14-7-9(6-13-14)11(15)16/h1-4,6-7H,(H,15,16)
InChIKeyFFNALGQEMPFZAF-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.44
Rot. Bonds2

About 1-(3-cyanophenyl)pyrazole-4-carboxylic acid

1-(3-cyanophenyl)pyrazole-4-carboxylic acid (PubChem CID 43542927) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-(3-cyanophenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyanophenyl)pyrazole-4-carboxylic acid
PubChem CID43542927
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name1-(3-cyanophenyl)pyrazole-4-carboxylic acid
SMILESN#Cc1cccc(-n2cc(C(=O)O)cn2)c1
InChIInChI=1S/C11H7N3O2/c12-5-8-2-1-3-10(4-8)14-7-9(6-13-14)11(15)16/h1-4,6-7H,(H,15,16)
InChIKeyFFNALGQEMPFZAF-UHFFFAOYSA-N
XLogP1.44
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-cyanophenyl)pyrazole-4-carboxylic acid (CID 43542927) is 1-(3-cyanophenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyanophenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-cyanophenyl)pyrazole-4-carboxylic acid is N#Cc1cccc(-n2cc(C(=O)O)cn2)c1.
What is the InChIKey of 1-(3-cyanophenyl)pyrazole-4-carboxylic acid?
The InChIKey is FFNALGQEMPFZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c12-5-8-2-1-3-10(4-8)14-7-9(6-13-14)11(15)16/h1-4,6-7H,(H,15,16).
What are the key properties of 1-(3-cyanophenyl)pyrazole-4-carboxylic acid?
1-(3-cyanophenyl)pyrazole-4-carboxylic acid has a molecular weight of 213.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 43542927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).