4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one

C9H17N3O — CID 61272133

IUPAC4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one
SMILESCCn1c(C(C)C)c(N)c(=O)n1C
InChIInChI=1S/C9H17N3O/c1-5-12-8(6(2)3)7(10)9(13)11(12)4/h6H,5,10H2,1-4H3
InChIKeyZJDDHQIWQLHUBD-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.91
Rot. Bonds2

About 4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one

4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one (PubChem CID 61272133) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one
PubChem CID61272133
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one
SMILESCCn1c(C(C)C)c(N)c(=O)n1C
InChIInChI=1S/C9H17N3O/c1-5-12-8(6(2)3)7(10)9(13)11(12)4/h6H,5,10H2,1-4H3
InChIKeyZJDDHQIWQLHUBD-UHFFFAOYSA-N
XLogP0.91
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-1-methyl-2-(2-methylpropyl)-5-propylpyrazol-3-one
CID 43163589
4-Amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one
CID 43163590
4-Amino-5-ethyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one
CID 43163591
4-Amino-5-tert-butyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one
CID 43163592
4-Amino-1,5-dimethyl-2-(2-methylpropyl)pyrazol-3-one
CID 43163593
4-Amino-1,2-dimethyl-5-propylpyrazol-3-one
CID 43163630
4-Amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one
CID 43163631
4-Amino-5-ethyl-1,2-dimethylpyrazol-3-one
CID 43163632
4-Amino-5-tert-butyl-1,2-dimethylpyrazol-3-one
CID 43163633
4-Amino-2-tert-butyl-1-methyl-5-propylpyrazol-3-one
CID 43163645
4-Amino-2-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-one
CID 43163646
4-Amino-2-tert-butyl-5-ethyl-1-methylpyrazol-3-one
CID 43163647

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one?
The IUPAC name of 4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one (CID 61272133) is 4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one.
What is the SMILES notation for 4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one?
The canonical SMILES for 4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one is CCn1c(C(C)C)c(N)c(=O)n1C.
What is the InChIKey of 4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one?
The InChIKey is ZJDDHQIWQLHUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5-12-8(6(2)3)7(10)9(13)11(12)4/h6H,5,10H2,1-4H3.
What are the key properties of 4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one?
4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one has a molecular weight of 183.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one is sourced from PubChem (CID 61272133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).