5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine

C14H16FN3 — CID 115888863

IUPAC5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2NCCn1cccn1
InChIInChI=1S/C14H16FN3/c15-12-3-4-13-11(10-12)2-5-14(13)16-7-9-18-8-1-6-17-18/h1,3-4,6,8,10,14,16H,2,5,7,9H2
InChIKeyOPJVFKFGXCDZFR-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.30
Rot. Bonds4

About 5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115888863) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115888863
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2NCCn1cccn1
InChIInChI=1S/C14H16FN3/c15-12-3-4-13-11(10-12)2-5-14(13)16-7-9-18-8-1-6-17-18/h1,3-4,6,8,10,14,16H,2,5,7,9H2
InChIKeyOPJVFKFGXCDZFR-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-6-fluoro-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 97229636
5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 112700049
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanenitrile
CID 115591788
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 116531134
5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113260866
5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
CID 107303158
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylurea
CID 116531124
N-[2-(2,2-difluoroethoxy)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 103082723
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
2-bromo-N-(2-pyrazol-1-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690320

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine (CID 115888863) is 5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine is Fc1ccc2c(c1)CCC2NCCn1cccn1.
What is the InChIKey of 5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OPJVFKFGXCDZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-12-3-4-13-11(10-12)2-5-14(13)16-7-9-18-8-1-6-17-18/h1,3-4,6,8,10,14,16H,2,5,7,9H2.
What are the key properties of 5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 245.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115888863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).