N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine

C18H28N4OS — CID 51105120

IUPACN-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(CNCc2c(C(C)C)nn(C)c2N2CCOCC2)s1
InChIInChI=1S/C18H28N4OS/c1-13(2)17-16(12-19-11-15-6-5-14(3)24-15)18(21(4)20-17)22-7-9-23-10-8-22/h5-6,13,19H,7-12H2,1-4H3
InChIKeySLEVTQNCYBCOKF-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.04
Rot. Bonds6

About N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine

N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine (PubChem CID 51105120) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
PubChem CID51105120
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC NameN-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(CNCc2c(C(C)C)nn(C)c2N2CCOCC2)s1
InChIInChI=1S/C18H28N4OS/c1-13(2)17-16(12-19-11-15-6-5-14(3)24-15)18(21(4)20-17)22-7-9-23-10-8-22/h5-6,13,19H,7-12H2,1-4H3
InChIKeySLEVTQNCYBCOKF-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine (CID 51105120) is N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine is Cc1ccc(CNCc2c(C(C)C)nn(C)c2N2CCOCC2)s1.
What is the InChIKey of N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
The InChIKey is SLEVTQNCYBCOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-13(2)17-16(12-19-11-15-6-5-14(3)24-15)18(21(4)20-17)22-7-9-23-10-8-22/h5-6,13,19H,7-12H2,1-4H3.
What are the key properties of N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine has a molecular weight of 348.52 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 51105120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).