4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one

C15H21N3O — CID 43342155

IUPAC4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one
SMILESCc1ccc(C)c(-n2c(=O)c(N)c(C(C)C)n2C)c1
InChIInChI=1S/C15H21N3O/c1-9(2)14-13(16)15(19)18(17(14)5)12-8-10(3)6-7-11(12)4/h6-9H,16H2,1-5H3
InChIKeyJWXNPQCZSSQMRO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.50
Rot. Bonds2

About 4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one

4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one (PubChem CID 43342155) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one
PubChem CID43342155
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one
SMILESCc1ccc(C)c(-n2c(=O)c(N)c(C(C)C)n2C)c1
InChIInChI=1S/C15H21N3O/c1-9(2)14-13(16)15(19)18(17(14)5)12-8-10(3)6-7-11(12)4/h6-9H,16H2,1-5H3
InChIKeyJWXNPQCZSSQMRO-UHFFFAOYSA-N
XLogP2.50
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one
CID 61271548
4-amino-2-(2,5-dimethylphenyl)-5-ethyl-1-propylpyrazol-3-one
CID 61271368
1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine
CID 79500843
4-amino-5-cyclopropyl-2-(2,4-dimethylphenyl)-1-methylpyrazol-3-one
CID 63353904
2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
CID 82300177
4-amino-1-methyl-5-propan-2-yl-2-propylpyrazol-3-one
CID 61265328
2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one
CID 159947269
2-amino-4,7-dimethylcyclohepta-2,4,6-trien-1-one
CID 55289737
4-amino-2-(3,5-dimethylphenyl)-1,5-dimethylpyrazol-3-one
CID 43542627
6,13-bis(2,5-dimethylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 1035548
5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
CID 66441226
3-(2-hydroxy-5-methylphenyl)-2,7,7-trimethylcyclohepta[d]pyridazine-1,4-dione
CID 171836172

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one?
The IUPAC name of 4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one (CID 43342155) is 4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one?
The canonical SMILES for 4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one is Cc1ccc(C)c(-n2c(=O)c(N)c(C(C)C)n2C)c1.
What is the InChIKey of 4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one?
The InChIKey is JWXNPQCZSSQMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9(2)14-13(16)15(19)18(17(14)5)12-8-10(3)6-7-11(12)4/h6-9H,16H2,1-5H3.
What are the key properties of 4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one?
4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one has a molecular weight of 259.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyrazol-3-one is sourced from PubChem (CID 43342155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).