1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid

C14H11N3O2 — CID 43542935

IUPAC1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid
SMILESN#Cc1cccc(-n2ncc(C(=O)O)c2C2CC2)c1
InChIInChI=1S/C14H11N3O2/c15-7-9-2-1-3-11(6-9)17-13(10-4-5-10)12(8-16-17)14(18)19/h1-3,6,8,10H,4-5H2,(H,18,19)
InChIKeyLGCSVNULJQQBQX-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.32
Rot. Bonds3

About 1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid

1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid (PubChem CID 43542935) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid
PubChem CID43542935
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid
SMILESN#Cc1cccc(-n2ncc(C(=O)O)c2C2CC2)c1
InChIInChI=1S/C14H11N3O2/c15-7-9-2-1-3-11(6-9)17-13(10-4-5-10)12(8-16-17)14(18)19/h1-3,6,8,10H,4-5H2,(H,18,19)
InChIKeyLGCSVNULJQQBQX-UHFFFAOYSA-N
XLogP2.32
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid (CID 43542935) is 1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid is N#Cc1cccc(-n2ncc(C(=O)O)c2C2CC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid?
The InChIKey is LGCSVNULJQQBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-7-9-2-1-3-11(6-9)17-13(10-4-5-10)12(8-16-17)14(18)19/h1-3,6,8,10H,4-5H2,(H,18,19).
What are the key properties of 1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid?
1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43542935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).