N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine

C13H17FN4 — CID 79484927

IUPACN-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn[nH]c1-c1cncc(F)c1
InChIInChI=1S/C13H17FN4/c1-13(2,3)16-6-10-7-17-18-12(10)9-4-11(14)8-15-5-9/h4-5,7-8,16H,6H2,1-3H3,(H,17,18)
InChIKeyVSAICPCRXPSJAS-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.50
Rot. Bonds3

About N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79484927) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79484927
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC NameN-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn[nH]c1-c1cncc(F)c1
InChIInChI=1S/C13H17FN4/c1-13(2,3)16-6-10-7-17-18-12(10)9-4-11(14)8-15-5-9/h4-5,7-8,16H,6H2,1-3H3,(H,17,18)
InChIKeyVSAICPCRXPSJAS-UHFFFAOYSA-N
XLogP2.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 79484927) is N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cn[nH]c1-c1cncc(F)c1.
What is the InChIKey of N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VSAICPCRXPSJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-13(2,3)16-6-10-7-17-18-12(10)9-4-11(14)8-15-5-9/h4-5,7-8,16H,6H2,1-3H3,(H,17,18).
What are the key properties of N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 248.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79484927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).