7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole

C16H20FN3O — CID 114667952

IUPAC7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole
SMILESCOc1cnn(C(C)C)c1C(F)c1cccc2c1NCC2
InChIInChI=1S/C16H20FN3O/c1-10(2)20-16(13(21-3)9-19-20)14(17)12-6-4-5-11-7-8-18-15(11)12/h4-6,9-10,14,18H,7-8H2,1-3H3
InChIKeyUXDBCXZEFHSKSE-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.50
Rot. Bonds4

About 7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole

7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 114667952) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID114667952
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole
SMILESCOc1cnn(C(C)C)c1C(F)c1cccc2c1NCC2
InChIInChI=1S/C16H20FN3O/c1-10(2)20-16(13(21-3)9-19-20)14(17)12-6-4-5-11-7-8-18-15(11)12/h4-6,9-10,14,18H,7-8H2,1-3H3
InChIKeyUXDBCXZEFHSKSE-UHFFFAOYSA-N
XLogP3.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole (CID 114667952) is 7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole is COc1cnn(C(C)C)c1C(F)c1cccc2c1NCC2.
What is the InChIKey of 7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is UXDBCXZEFHSKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10(2)20-16(13(21-3)9-19-20)14(17)12-6-4-5-11-7-8-18-15(11)12/h4-6,9-10,14,18H,7-8H2,1-3H3.
What are the key properties of 7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole?
7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 289.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 114667952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).