(2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone

C12H13N3O2 — CID 116602543

IUPAC(2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone
SMILESCOc1ccc(N)c(C(=O)c2cnn(C)c2)c1
InChIInChI=1S/C12H13N3O2/c1-15-7-8(6-14-15)12(16)10-5-9(17-2)3-4-11(10)13/h3-7H,13H2,1-2H3
InChIKeyIIXUYLLGCPECCB-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.24
Rot. Bonds3

About (2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone

(2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 116602543) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is (2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone
PubChem CID116602543
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name(2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone
SMILESCOc1ccc(N)c(C(=O)c2cnn(C)c2)c1
InChIInChI=1S/C12H13N3O2/c1-15-7-8(6-14-15)12(16)10-5-9(17-2)3-4-11(10)13/h3-7H,13H2,1-2H3
InChIKeyIIXUYLLGCPECCB-UHFFFAOYSA-N
XLogP1.24
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone 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

(2-amino-5-methoxyphenyl)-(2,3-dimethylimidazol-4-yl)methanone
CID 114283501
(2-amino-5-methoxyphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114670773
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
methyl 2-amino-5-methoxybenzoate
CID 13052275
2-amino-5-methoxybenzamide;ethane
CID 142071126
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963931
(5-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963954
(2-amino-5-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 69458857
(2-amino-5-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 103133497

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone (CID 116602543) is (2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone is COc1ccc(N)c(C(=O)c2cnn(C)c2)c1.
What is the InChIKey of (2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is IIXUYLLGCPECCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-7-8(6-14-15)12(16)10-5-9(17-2)3-4-11(10)13/h3-7H,13H2,1-2H3.
What are the key properties of (2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone?
(2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 231.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 116602543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).