(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine

C19H28N4O — CID 99782963

IUPAC(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine
SMILESCc1ccccc1[C@@H](CN1CCOCC1)NCc1cnn(C)c1C
InChIInChI=1S/C19H28N4O/c1-15-6-4-5-7-18(15)19(14-23-8-10-24-11-9-23)20-12-17-13-21-22(3)16(17)2/h4-7,13,19-20H,8-12,14H2,1-3H3/t19-/m1/s1
InChIKeyCGNSRPWBEQOXES-LJQANCHMSA-N
MW328.46 g/mol
LogP2.20
Rot. Bonds6

About (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine

(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine (PubChem CID 99782963) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine
PubChem CID99782963
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine
SMILESCc1ccccc1[C@@H](CN1CCOCC1)NCc1cnn(C)c1C
InChIInChI=1S/C19H28N4O/c1-15-6-4-5-7-18(15)19(14-23-8-10-24-11-9-23)20-12-17-13-21-22(3)16(17)2/h4-7,13,19-20H,8-12,14H2,1-3H3/t19-/m1/s1
InChIKeyCGNSRPWBEQOXES-LJQANCHMSA-N
XLogP2.20
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine with MolForge

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Related Compounds

(1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 99854285
(1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 99854313
2-[[1-(2-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-phenylethanol
CID 146081346
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 79578789
(2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol
CID 103851995
1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 86781091
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
(4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine
CID 99701622
N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
CID 115896746
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79579138
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine
CID 103851409
2-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-(2-methylphenyl)ethanol
CID 167870423

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine?
The IUPAC name of (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine (CID 99782963) is (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine is Cc1ccccc1[C@@H](CN1CCOCC1)NCc1cnn(C)c1C.
What is the InChIKey of (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine?
The InChIKey is CGNSRPWBEQOXES-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-6-4-5-7-18(15)19(14-23-8-10-24-11-9-23)20-12-17-13-21-22(3)16(17)2/h4-7,13,19-20H,8-12,14H2,1-3H3/t19-/m1/s1.
What are the key properties of (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine?
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine has a molecular weight of 328.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 99782963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).