(5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone

C13H15N3O — CID 14626653

IUPAC(5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1c(C)nn(C)c1N
InChIInChI=1S/C13H15N3O/c1-8-6-4-5-7-10(8)12(17)11-9(2)15-16(3)13(11)14/h4-7H,14H2,1-3H3
InChIKeyHIGFAMOMIXTOJK-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.85
Rot. Bonds2

About (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone

(5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone (PubChem CID 14626653) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone
PubChem CID14626653
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1c(C)nn(C)c1N
InChIInChI=1S/C13H15N3O/c1-8-6-4-5-7-10(8)12(17)11-9(2)15-16(3)13(11)14/h4-7H,14H2,1-3H3
InChIKeyHIGFAMOMIXTOJK-UHFFFAOYSA-N
XLogP1.85
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone?
The IUPAC name of (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone (CID 14626653) is (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1c(C)nn(C)c1N.
What is the InChIKey of (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone?
The InChIKey is HIGFAMOMIXTOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-6-4-5-7-10(8)12(17)11-9(2)15-16(3)13(11)14/h4-7H,14H2,1-3H3.
What are the key properties of (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone?
(5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone has a molecular weight of 229.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3-dimethylpyrazol-4-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 14626653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).