5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid

C12H11N3O4 — CID 82589311

IUPAC5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid
SMILESNc1cc(C(=O)O)nn1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H11N3O4/c13-10-6-9(12(18)19)14-15(10)8-3-1-7(2-4-8)5-11(16)17/h1-4,6H,5,13H2,(H,16,17)(H,18,19)
InChIKeyRVCKDYFCTJKRNI-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.78
Rot. Bonds4

About 5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid

5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid (PubChem CID 82589311) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid
PubChem CID82589311
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid
SMILESNc1cc(C(=O)O)nn1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H11N3O4/c13-10-6-9(12(18)19)14-15(10)8-3-1-7(2-4-8)5-11(16)17/h1-4,6H,5,13H2,(H,16,17)(H,18,19)
InChIKeyRVCKDYFCTJKRNI-UHFFFAOYSA-N
XLogP0.78
TPSA118.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 82115800
5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid
CID 82589309
5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
CID 82116964
5-amino-1-(4-bromo-3-methylphenyl)pyrazole-3-carboxylic acid
CID 82124593
4-(5-amino-3-ethoxycarbonylpyrazol-1-yl)benzoic acid
CID 59001333
5-amino-1-[4-(carboxymethyl)phenyl]-4-cyanopyrazole-3-carboxylic acid
CID 82589932
1-[4-(carboxymethyl)phenyl]-5-methylpyrazole-4-carboxylic acid
CID 82361094
1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362040
2-(5-amino-1-phenylpyrazol-3-yl)acetamide
CID 118392815
2-[4-(3-carbamoyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)phenyl]acetic acid
CID 110458513
2-[4-[4-(aminomethyl)-5-methyltriazol-1-yl]phenyl]acetic acid
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2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid
CID 83820204

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid (CID 82589311) is 5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid is Nc1cc(C(=O)O)nn1-c1ccc(CC(=O)O)cc1.
What is the InChIKey of 5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid?
The InChIKey is RVCKDYFCTJKRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c13-10-6-9(12(18)19)14-15(10)8-3-1-7(2-4-8)5-11(16)17/h1-4,6H,5,13H2,(H,16,17)(H,18,19).
What are the key properties of 5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid?
5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(carboxymethyl)phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 82589311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).