5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid

C11H7N3O2 — CID 63991130

IUPAC5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid
SMILESN#Cc1cccc(-c2[nH]ncc2C(=O)O)c1
InChIInChI=1S/C11H7N3O2/c12-5-7-2-1-3-8(4-7)10-9(11(15)16)6-13-14-10/h1-4,6H,(H,13,14)(H,15,16)
InChIKeyCXZRWTJDPNRURD-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.65
Rot. Bonds2

About 5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid

5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 63991130) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid
PubChem CID63991130
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid
SMILESN#Cc1cccc(-c2[nH]ncc2C(=O)O)c1
InChIInChI=1S/C11H7N3O2/c12-5-7-2-1-3-8(4-7)10-9(11(15)16)6-13-14-10/h1-4,6H,(H,13,14)(H,15,16)
InChIKeyCXZRWTJDPNRURD-UHFFFAOYSA-N
XLogP1.65
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid
CID 4202176
3-(1H-pyrazol-3-yl)benzoic acid
CID 2795542
3-(1H-pyrazol-4-yl)benzoic Acid
CID 7174253
3-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 3465472
3-phenyl-1H-pyrazole-4-carboxylic acid
CID 4138562
3-(4-Bromophenyl)-1H-pyrazole-4-carboxylic acid
CID 776539
4-phenyl-1H-pyrazole-3-carboxylic acid
CID 347194
1H-Indazole-7-carboxylic acid
CID 12639205
3-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 28948783
3-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid
CID 12189266
3-(3-Fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 12189271
3-(2-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 12189275

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid (CID 63991130) is 5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid is N#Cc1cccc(-c2[nH]ncc2C(=O)O)c1.
What is the InChIKey of 5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is CXZRWTJDPNRURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c12-5-7-2-1-3-8(4-7)10-9(11(15)16)6-13-14-10/h1-4,6H,(H,13,14)(H,15,16).
What are the key properties of 5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid?
5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 213.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanophenyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 63991130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).