(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C15H17FN4O — CID 103493803

IUPAC(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H17FN4O/c1-3-20-14(13(17)9(2)18-20)15(21)19-7-6-10-4-5-11(16)8-12(10)19/h4-5,8H,3,6-7,17H2,1-2H3
InChIKeyKOZMFPAWXPISDB-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.14
Rot. Bonds2

About (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 103493803) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID103493803
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H17FN4O/c1-3-20-14(13(17)9(2)18-20)15(21)19-7-6-10-4-5-11(16)8-12(10)19/h4-5,8H,3,6-7,17H2,1-2H3
InChIKeyKOZMFPAWXPISDB-UHFFFAOYSA-N
XLogP2.14
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493768
(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 66120055
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 66125786
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495293
(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502157
(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493823
(3-amino-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502191
[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502194

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 103493803) is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is CCn1nc(C)c(N)c1C(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is KOZMFPAWXPISDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-3-20-14(13(17)9(2)18-20)15(21)19-7-6-10-4-5-11(16)8-12(10)19/h4-5,8H,3,6-7,17H2,1-2H3.
What are the key properties of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 288.33 g/mol, XLogP of 2.14, 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-3-methylpyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 103493803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).