N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine

C16H22FN3 — CID 62717967

IUPACN-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C16H22FN3/c1-16(2,3)18-10-6-7-13-11-19-20(12-13)15-9-5-4-8-14(15)17/h4-5,8-9,11-12,18H,6-7,10H2,1-3H3
InChIKeyKRNPSLJKIDAKLU-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.33
Rot. Bonds5

About N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine

N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine (PubChem CID 62717967) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
PubChem CID62717967
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C16H22FN3/c1-16(2,3)18-10-6-7-13-11-19-20(12-13)15-9-5-4-8-14(15)17/h4-5,8-9,11-12,18H,6-7,10H2,1-3H3
InChIKeyKRNPSLJKIDAKLU-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine (CID 62717967) is N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCc1cnn(-c2ccccc2F)c1.
What is the InChIKey of N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is KRNPSLJKIDAKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-16(2,3)18-10-6-7-13-11-19-20(12-13)15-9-5-4-8-14(15)17/h4-5,8-9,11-12,18H,6-7,10H2,1-3H3.
What are the key properties of N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine?
N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62717967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).