N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

C18H28N4OS — CID 51104810

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC(c1cccs1)C(C)C
InChIInChI=1S/C18H28N4OS/c1-13(2)17(16-6-5-11-24-16)19-12-15-14(3)20-21(4)18(15)22-7-9-23-10-8-22/h5-6,11,13,17,19H,7-10,12H2,1-4H3
InChIKeyTUJNWHGHXYQFGV-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.11
Rot. Bonds6

About N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 51104810) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID51104810
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC(c1cccs1)C(C)C
InChIInChI=1S/C18H28N4OS/c1-13(2)17(16-6-5-11-24-16)19-12-15-14(3)20-21(4)18(15)22-7-9-23-10-8-22/h5-6,11,13,17,19H,7-10,12H2,1-4H3
InChIKeyTUJNWHGHXYQFGV-UHFFFAOYSA-N
XLogP3.11
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.11
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]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 51104810) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is Cc1nn(C)c(N2CCOCC2)c1CNC(c1cccs1)C(C)C.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is TUJNWHGHXYQFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-13(2)17(16-6-5-11-24-16)19-12-15-14(3)20-21(4)18(15)22-7-9-23-10-8-22/h5-6,11,13,17,19H,7-10,12H2,1-4H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 348.52 g/mol, XLogP of 3.11, 6 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]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 51104810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).