N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine

C18H28N4O — CID 86808598

IUPACN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCc1ccc(-c2[nH]ncc2CNC2CCN(CC(C)C)CC2)o1
InChIInChI=1S/C18H28N4O/c1-13(2)12-22-8-6-16(7-9-22)19-10-15-11-20-21-18(15)17-5-4-14(3)23-17/h4-5,11,13,16,19H,6-10,12H2,1-3H3,(H,20,21)
InChIKeyBTAWIEGNDOTGDF-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.19
Rot. Bonds6

About N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 86808598) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine
PubChem CID86808598
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCc1ccc(-c2[nH]ncc2CNC2CCN(CC(C)C)CC2)o1
InChIInChI=1S/C18H28N4O/c1-13(2)12-22-8-6-16(7-9-22)19-10-15-11-20-21-18(15)17-5-4-14(3)23-17/h4-5,11,13,16,19H,6-10,12H2,1-3H3,(H,20,21)
InChIKeyBTAWIEGNDOTGDF-UHFFFAOYSA-N
XLogP3.19
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine (CID 86808598) is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine is Cc1ccc(-c2[nH]ncc2CNC2CCN(CC(C)C)CC2)o1.
What is the InChIKey of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is BTAWIEGNDOTGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13(2)12-22-8-6-16(7-9-22)19-10-15-11-20-21-18(15)17-5-4-14(3)23-17/h4-5,11,13,16,19H,6-10,12H2,1-3H3,(H,20,21).
What are the key properties of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine?
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 316.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 86808598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).