1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid

C11H11N3O3 — CID 83864577

IUPAC1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid
SMILESCNc1cc(C(=O)O)nn1-c1ccc(O)cc1
InChIInChI=1S/C11H11N3O3/c1-12-10-6-9(11(16)17)13-14(10)7-2-4-8(15)5-3-7/h2-6,12,15H,1H3,(H,16,17)
InChIKeyPEFPYPIGWOGHFV-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.32
Rot. Bonds3

About 1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid

1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid (PubChem CID 83864577) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid
PubChem CID83864577
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid
SMILESCNc1cc(C(=O)O)nn1-c1ccc(O)cc1
InChIInChI=1S/C11H11N3O3/c1-12-10-6-9(11(16)17)13-14(10)7-2-4-8(15)5-3-7/h2-6,12,15H,1H3,(H,16,17)
InChIKeyPEFPYPIGWOGHFV-UHFFFAOYSA-N
XLogP1.32
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362040
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
CID 23630922
1-(4-methoxycarbonylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82361682
1-(4-methylphenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 22831933
5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid
CID 82589309
1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362057
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
5-amino-1-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 82115800
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82089498
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361807

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid (CID 83864577) is 1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid is CNc1cc(C(=O)O)nn1-c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid?
The InChIKey is PEFPYPIGWOGHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-12-10-6-9(11(16)17)13-14(10)7-2-4-8(15)5-3-7/h2-6,12,15H,1H3,(H,16,17).
What are the key properties of 1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid?
1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-5-(methylamino)pyrazole-3-carboxylic acid is sourced from PubChem (CID 83864577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).