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

C17H24FN3 — CID 63859472

IUPACN-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine
SMILESCc1cc(F)ccc1-n1cc(CCCNCC(C)C)cn1
InChIInChI=1S/C17H24FN3/c1-13(2)10-19-8-4-5-15-11-20-21(12-15)17-7-6-16(18)9-14(17)3/h6-7,9,11-13,19H,4-5,8,10H2,1-3H3
InChIKeyQTLCUJHDYYIAFN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.50
Rot. Bonds7

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

N-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine (PubChem CID 63859472) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine
PubChem CID63859472
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine
SMILESCc1cc(F)ccc1-n1cc(CCCNCC(C)C)cn1
InChIInChI=1S/C17H24FN3/c1-13(2)10-19-8-4-5-15-11-20-21(12-15)17-7-6-16(18)9-14(17)3/h6-7,9,11-13,19H,4-5,8,10H2,1-3H3
InChIKeyQTLCUJHDYYIAFN-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.50
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-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine (CID 63859472) is N-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine is Cc1cc(F)ccc1-n1cc(CCCNCC(C)C)cn1.
What is the InChIKey of N-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is QTLCUJHDYYIAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-13(2)10-19-8-4-5-15-11-20-21(12-15)17-7-6-16(18)9-14(17)3/h6-7,9,11-13,19H,4-5,8,10H2,1-3H3.
What are the key properties of N-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine?
N-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63859472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).