5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C14H16FN3 — CID 115595888

IUPAC5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1[nH]ncc1CNC1CCc2cc(F)ccc21
InChIInChI=1S/C14H16FN3/c1-9-11(8-17-18-9)7-16-14-5-2-10-6-12(15)3-4-13(10)14/h3-4,6,8,14,16H,2,5,7H2,1H3,(H,17,18)
InChIKeySOXIUCFBFLLQHR-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.63
Rot. Bonds3

About 5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 115595888) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID115595888
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1[nH]ncc1CNC1CCc2cc(F)ccc21
InChIInChI=1S/C14H16FN3/c1-9-11(8-17-18-9)7-16-14-5-2-10-6-12(15)3-4-13(10)14/h3-4,6,8,14,16H,2,5,7H2,1H3,(H,17,18)
InChIKeySOXIUCFBFLLQHR-UHFFFAOYSA-N
XLogP2.63
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 115595888) is 5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1[nH]ncc1CNC1CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SOXIUCFBFLLQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9-11(8-17-18-9)7-16-14-5-2-10-6-12(15)3-4-13(10)14/h3-4,6,8,14,16H,2,5,7H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 245.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115595888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).