N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine

C19H28N4O — CID 128976699

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine
SMILESCCc1nn(C)cc1CNC[C@@H]1OCCN(C)[C@H]1c1ccccc1
InChIInChI=1S/C19H28N4O/c1-4-17-16(14-23(3)21-17)12-20-13-18-19(22(2)10-11-24-18)15-8-6-5-7-9-15/h5-9,14,18-20H,4,10-13H2,1-3H3/t18-,19-/m0/s1
InChIKeyIYYJWQZEZFPSIA-OALUTQOASA-N
MW328.46 g/mol
LogP2.14
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine (PubChem CID 128976699) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine
PubChem CID128976699
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine
SMILESCCc1nn(C)cc1CNC[C@@H]1OCCN(C)[C@H]1c1ccccc1
InChIInChI=1S/C19H28N4O/c1-4-17-16(14-23(3)21-17)12-20-13-18-19(22(2)10-11-24-18)15-8-6-5-7-9-15/h5-9,14,18-20H,4,10-13H2,1-3H3/t18-,19-/m0/s1
InChIKeyIYYJWQZEZFPSIA-OALUTQOASA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine with MolForge

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
CID 115885655
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 112669088
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 112549377
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 112549594
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-phenoxyethanamine
CID 112549164
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 103991912
N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine
CID 122164329
2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 128979281
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 103893916
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885559
[(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 155911732

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine (CID 128976699) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine is CCc1nn(C)cc1CNC[C@@H]1OCCN(C)[C@H]1c1ccccc1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine?
The InChIKey is IYYJWQZEZFPSIA-OALUTQOASA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-17-16(14-23(3)21-17)12-20-13-18-19(22(2)10-11-24-18)15-8-6-5-7-9-15/h5-9,14,18-20H,4,10-13H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine has a molecular weight of 328.46 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine is sourced from PubChem (CID 128976699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).