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

C15H21N3O2 — CID 114798589

IUPAC4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one
SMILESCCn1c(C(C)C)c(N)c(=O)n1-c1cccc(OC)c1
InChIInChI=1S/C15H21N3O2/c1-5-17-14(10(2)3)13(16)15(19)18(17)11-7-6-8-12(9-11)20-4/h6-10H,5,16H2,1-4H3
InChIKeyXIRCBPIZHBHKRJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.37
Rot. Bonds4

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

4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one (PubChem CID 114798589) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one
PubChem CID114798589
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one
SMILESCCn1c(C(C)C)c(N)c(=O)n1-c1cccc(OC)c1
InChIInChI=1S/C15H21N3O2/c1-5-17-14(10(2)3)13(16)15(19)18(17)11-7-6-8-12(9-11)20-4/h6-10H,5,16H2,1-4H3
InChIKeyXIRCBPIZHBHKRJ-UHFFFAOYSA-N
XLogP2.37
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-2-methyl-5-propan-2-ylpyrazol-3-one
CID 61272133
4-amino-2-(3-bromophenyl)-1,5-diethylpyrazol-3-one
CID 61270601
1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine
CID 79501179
4-amino-2-(3-bromophenyl)-1-ethyl-5-propylpyrazol-3-one
CID 61270403
4-amino-2-(3-bromophenyl)-5-cyclopropyl-1-ethylpyrazol-3-one
CID 63353775
6-amino-3-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115003951
3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518553
6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 52897925
5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one
CID 114798023
4-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazol-3-one
CID 83888721
1-(3-methoxyphenyl)pyridin-4-one
CID 86100298
4-amino-5-tert-butyl-2-(3-chlorophenyl)-1-propylpyrazol-3-one
CID 61270607

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one?
The IUPAC name of 4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one (CID 114798589) is 4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one.
What is the SMILES notation for 4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one?
The canonical SMILES for 4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one is CCn1c(C(C)C)c(N)c(=O)n1-c1cccc(OC)c1.
What is the InChIKey of 4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one?
The InChIKey is XIRCBPIZHBHKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-17-14(10(2)3)13(16)15(19)18(17)11-7-6-8-12(9-11)20-4/h6-10H,5,16H2,1-4H3.
What are the key properties of 4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one?
4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one has a molecular weight of 275.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one is sourced from PubChem (CID 114798589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).