N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine

C17H24FN5 — CID 166058232

IUPACN-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine
SMILESCc1cccc(F)c1N1CCCC(NCc2cn(C)nc2N)C1
InChIInChI=1S/C17H24FN5/c1-12-5-3-7-15(18)16(12)23-8-4-6-14(11-23)20-9-13-10-22(2)21-17(13)19/h3,5,7,10,14,20H,4,6,8-9,11H2,1-2H3,(H2,19,21)
InChIKeyJSIUIYAKOIELSS-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.21
Rot. Bonds4

About N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine

N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine (PubChem CID 166058232) has the molecular formula C17H24FN5 and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine
PubChem CID166058232
Molecular FormulaC17H24FN5
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC NameN-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine
SMILESCc1cccc(F)c1N1CCCC(NCc2cn(C)nc2N)C1
InChIInChI=1S/C17H24FN5/c1-12-5-3-7-15(18)16(12)23-8-4-6-14(11-23)20-9-13-10-22(2)21-17(13)19/h3,5,7,10,14,20H,4,6,8-9,11H2,1-2H3,(H2,19,21)
InChIKeyJSIUIYAKOIELSS-UHFFFAOYSA-N
XLogP2.21
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine?
The IUPAC name of N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine (CID 166058232) is N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine.
What is the SMILES notation for N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine?
The canonical SMILES for N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine is Cc1cccc(F)c1N1CCCC(NCc2cn(C)nc2N)C1.
What is the InChIKey of N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine?
The InChIKey is JSIUIYAKOIELSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5/c1-12-5-3-7-15(18)16(12)23-8-4-6-14(11-23)20-9-13-10-22(2)21-17(13)19/h3,5,7,10,14,20H,4,6,8-9,11H2,1-2H3,(H2,19,21).
What are the key properties of N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine?
N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine has a molecular weight of 317.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 166058232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).