1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid

C11H11N3O2 — CID 141001805

IUPAC1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid
SMILESCc1nn(N)c(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C11H11N3O2/c1-7-9(8-5-3-2-4-6-8)10(11(15)16)14(12)13-7/h2-6H,12H2,1H3,(H,15,16)
InChIKeyVWLFWSDMXGDCNA-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.27
Rot. Bonds2

About 1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid

1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid (PubChem CID 141001805) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid
PubChem CID141001805
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid
SMILESCc1nn(N)c(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C11H11N3O2/c1-7-9(8-5-3-2-4-6-8)10(11(15)16)14(12)13-7/h2-6H,12H2,1H3,(H,15,16)
InChIKeyVWLFWSDMXGDCNA-UHFFFAOYSA-N
XLogP1.27
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 44822384
1-chloro-5-methyl-4-phenylpyrazole-3-carboxylic acid
CID 134587124
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 6946048
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzoic acid
CID 63804633
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide
CID 132538742
5-amino-1-methyl-4-phenylpyrazole-3-carboxylic acid
CID 82078910
4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
CID 82393477
4-amino-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 102128230
5-amino-3-methyl-4-phenylpyrazole-1-carbothioamide
CID 86277520
ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
3-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]propanoic acid
CID 82483431

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid?
The IUPAC name of 1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid (CID 141001805) is 1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid is Cc1nn(N)c(C(=O)O)c1-c1ccccc1.
What is the InChIKey of 1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid?
The InChIKey is VWLFWSDMXGDCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-9(8-5-3-2-4-6-8)10(11(15)16)14(12)13-7/h2-6H,12H2,1H3,(H,15,16).
What are the key properties of 1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid?
1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-4-phenylpyrazole-5-carboxylic acid is sourced from PubChem (CID 141001805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).