4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one

C15H20FN3O — CID 63861036

IUPAC4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one
SMILESCCCn1c(CC)c(N)c(=O)n1-c1ccc(F)cc1C
InChIInChI=1S/C15H20FN3O/c1-4-8-18-12(5-2)14(17)15(20)19(18)13-7-6-11(16)9-10(13)3/h6-7,9H,4-5,8,17H2,1-3H3
InChIKeyOHJWQRFIDKSYAX-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.64
Rot. Bonds4

About 4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one

4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one (PubChem CID 63861036) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one
PubChem CID63861036
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one
SMILESCCCn1c(CC)c(N)c(=O)n1-c1ccc(F)cc1C
InChIInChI=1S/C15H20FN3O/c1-4-8-18-12(5-2)14(17)15(20)19(18)13-7-6-11(16)9-10(13)3/h6-7,9H,4-5,8,17H2,1-3H3
InChIKeyOHJWQRFIDKSYAX-UHFFFAOYSA-N
XLogP2.64
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one
CID 61270213
4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one
CID 61271001
4-amino-2-(3,4-dichlorophenyl)-5-ethyl-1-propylpyrazol-3-one
CID 61272735
4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one
CID 43163655
4-amino-2-(2-bromophenyl)-1,5-dipropylpyrazol-3-one
CID 61273162
4-amino-2-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)-1-propylpyrazol-3-one
CID 79129275
4-amino-2-(4-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazol-3-one
CID 113363203
4-amino-2-tert-butyl-5-ethyl-1-propylpyrazol-3-one
CID 61270212
4-amino-5-methyl-1-propyl-2-(3,4,5-trifluorophenyl)pyrazol-3-one
CID 79194183
5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598321
(3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one
CID 95240490
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one (CID 63861036) is 4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one is CCCn1c(CC)c(N)c(=O)n1-c1ccc(F)cc1C.
What is the InChIKey of 4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one?
The InChIKey is OHJWQRFIDKSYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-8-18-12(5-2)14(17)15(20)19(18)13-7-6-11(16)9-10(13)3/h6-7,9H,4-5,8,17H2,1-3H3.
What are the key properties of 4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one?
4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one has a molecular weight of 277.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-2-(4-fluoro-2-methylphenyl)-1-propylpyrazol-3-one is sourced from PubChem (CID 63861036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).