(1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine

C18H28N4OS — CID 95143525

IUPAC(1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1cccs1
InChIInChI=1S/C18H28N4OS/c1-13(2)17-15(12-19-14(3)16-6-5-11-24-16)18(21(4)20-17)22-7-9-23-10-8-22/h5-6,11,13-14,19H,7-10,12H2,1-4H3/t14-/m0/s1
InChIKeyYPTUVMWEBMIMIR-AWEZNQCLSA-N
MW348.52 g/mol
LogP3.29
Rot. Bonds6

About (1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine

(1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 95143525) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is (1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID95143525
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name(1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1cccs1
InChIInChI=1S/C18H28N4OS/c1-13(2)17-15(12-19-14(3)16-6-5-11-24-16)18(21(4)20-17)22-7-9-23-10-8-22/h5-6,11,13-14,19H,7-10,12H2,1-4H3/t14-/m0/s1
InChIKeyYPTUVMWEBMIMIR-AWEZNQCLSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine (CID 95143525) is (1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine is CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1cccs1.
What is the InChIKey of (1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is YPTUVMWEBMIMIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-13(2)17-15(12-19-14(3)16-6-5-11-24-16)18(21(4)20-17)22-7-9-23-10-8-22/h5-6,11,13-14,19H,7-10,12H2,1-4H3/t14-/m0/s1.
What are the key properties of (1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
(1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 348.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 95143525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).