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

C16H23N3O — CID 61271548

IUPAC4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one
SMILESCCn1c(C(C)C)c(N)c(=O)n1-c1cc(C)ccc1C
InChIInChI=1S/C16H23N3O/c1-6-18-15(10(2)3)14(17)16(20)19(18)13-9-11(4)7-8-12(13)5/h7-10H,6,17H2,1-5H3
InChIKeySGPZWXHRLCHEJM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.98
Rot. Bonds3

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

4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one (PubChem CID 61271548) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one
PubChem CID61271548
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one
SMILESCCn1c(C(C)C)c(N)c(=O)n1-c1cc(C)ccc1C
InChIInChI=1S/C16H23N3O/c1-6-18-15(10(2)3)14(17)16(20)19(18)13-9-11(4)7-8-12(13)5/h7-10H,6,17H2,1-5H3
InChIKeySGPZWXHRLCHEJM-UHFFFAOYSA-N
XLogP2.98
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one?
The IUPAC name of 4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one (CID 61271548) is 4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one?
The canonical SMILES for 4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one is CCn1c(C(C)C)c(N)c(=O)n1-c1cc(C)ccc1C.
What is the InChIKey of 4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one?
The InChIKey is SGPZWXHRLCHEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-6-18-15(10(2)3)14(17)16(20)19(18)13-9-11(4)7-8-12(13)5/h7-10H,6,17H2,1-5H3.
What are the key properties of 4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one?
4-amino-2-(2,5-dimethylphenyl)-1-ethyl-5-propan-2-ylpyrazol-3-one has a molecular weight of 273.38 g/mol, XLogP of 2.98, 3 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-ethyl-5-propan-2-ylpyrazol-3-one is sourced from PubChem (CID 61271548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).