1-(2-cyanophenyl)pyrazole-4-carboxylic acid

C11H7N3O2 — CID 53415450

IUPAC1-(2-cyanophenyl)pyrazole-4-carboxylic acid
SMILESN#Cc1ccccc1-n1cc(C(=O)O)cn1
InChIInChI=1S/C11H7N3O2/c12-5-8-3-1-2-4-10(8)14-7-9(6-13-14)11(15)16/h1-4,6-7H,(H,15,16)
InChIKeyRTOYWNBUFYVURU-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.44
Rot. Bonds2

About 1-(2-cyanophenyl)pyrazole-4-carboxylic acid

1-(2-cyanophenyl)pyrazole-4-carboxylic acid (PubChem CID 53415450) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-(2-cyanophenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyanophenyl)pyrazole-4-carboxylic acid
PubChem CID53415450
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name1-(2-cyanophenyl)pyrazole-4-carboxylic acid
SMILESN#Cc1ccccc1-n1cc(C(=O)O)cn1
InChIInChI=1S/C11H7N3O2/c12-5-8-3-1-2-4-10(8)14-7-9(6-13-14)11(15)16/h1-4,6-7H,(H,15,16)
InChIKeyRTOYWNBUFYVURU-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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Related Compounds

1-(5-bromo-2-cyanophenyl)pyrazole-4-carboxylic acid
CID 114907014
1-(2-cyano-3-fluorophenyl)pyrazole-4-carboxylic acid
CID 79522262
1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365533
1-(3-cyanophenyl)pyrazole-4-carboxylic acid
CID 43542927
1-(2-propoxyphenyl)pyrazole-4-carboxylic acid
CID 82365555
1-[5-(1-benzothiophen-3-yl)-4-cyano-2-pyridinyl]pyrazole-4-carboxylic acid
CID 86300457
2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile
CID 175705343
1-naphthalen-2-ylpyrazole-4-carboxylic acid
CID 53415770
1-quinazolin-2-ylpyrazole-4-carboxylic acid
CID 114789671
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
ethyl 1-(2-cyano-5-methylphenyl)pyrazole-4-carboxylate
CID 81498402
1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361413

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-cyanophenyl)pyrazole-4-carboxylic acid (CID 53415450) is 1-(2-cyanophenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyanophenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-cyanophenyl)pyrazole-4-carboxylic acid is N#Cc1ccccc1-n1cc(C(=O)O)cn1.
What is the InChIKey of 1-(2-cyanophenyl)pyrazole-4-carboxylic acid?
The InChIKey is RTOYWNBUFYVURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c12-5-8-3-1-2-4-10(8)14-7-9(6-13-14)11(15)16/h1-4,6-7H,(H,15,16).
What are the key properties of 1-(2-cyanophenyl)pyrazole-4-carboxylic acid?
1-(2-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-(2-cyanophenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 53415450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).