(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine

C19H28N4O2 — CID 94816988

IUPAC(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine
SMILESCOc1c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)nn1C
InChIInChI=1S/C19H28N4O2/c1-14(20-13-18-15(2)21-22(3)19(18)24-4)16-5-7-17(8-6-16)23-9-11-25-12-10-23/h5-8,14,20H,9-13H2,1-4H3/t14-/m0/s1
InChIKeyICMNDNWVIYGQNL-AWEZNQCLSA-N
MW344.46 g/mol
LogP2.42
Rot. Bonds6

About (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine

(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine (PubChem CID 94816988) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine
PubChem CID94816988
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine
SMILESCOc1c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)nn1C
InChIInChI=1S/C19H28N4O2/c1-14(20-13-18-15(2)21-22(3)19(18)24-4)16-5-7-17(8-6-16)23-9-11-25-12-10-23/h5-8,14,20H,9-13H2,1-4H3/t14-/m0/s1
InChIKeyICMNDNWVIYGQNL-AWEZNQCLSA-N
XLogP2.42
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine (CID 94816988) is (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine is COc1c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)nn1C.
What is the InChIKey of (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine?
The InChIKey is ICMNDNWVIYGQNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(20-13-18-15(2)21-22(3)19(18)24-4)16-5-7-17(8-6-16)23-9-11-25-12-10-23/h5-8,14,20H,9-13H2,1-4H3/t14-/m0/s1.
What are the key properties of (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine?
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine has a molecular weight of 344.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine is sourced from PubChem (CID 94816988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).