N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine

C16H24N4O2 — CID 51104780

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC(C)c1ccco1
InChIInChI=1S/C16H24N4O2/c1-12-14(11-17-13(2)15-5-4-8-22-15)16(19(3)18-12)20-6-9-21-10-7-20/h4-5,8,13,17H,6-7,9-11H2,1-3H3
InChIKeyPHMTWUSGQZLIMC-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.01
Rot. Bonds5

About N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 51104780) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID51104780
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC(C)c1ccco1
InChIInChI=1S/C16H24N4O2/c1-12-14(11-17-13(2)15-5-4-8-22-15)16(19(3)18-12)20-6-9-21-10-7-20/h4-5,8,13,17H,6-7,9-11H2,1-3H3
InChIKeyPHMTWUSGQZLIMC-UHFFFAOYSA-N
XLogP2.01
TPSA55.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine (CID 51104780) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine is Cc1nn(C)c(N2CCOCC2)c1CNC(C)c1ccco1.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is PHMTWUSGQZLIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-14(11-17-13(2)15-5-4-8-22-15)16(19(3)18-12)20-6-9-21-10-7-20/h4-5,8,13,17H,6-7,9-11H2,1-3H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 304.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 51104780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).