N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine

C20H29N3O — CID 129005053

IUPACN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
SMILESCCc1nn(C)c(CC)c1CNC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C20H29N3O/c1-4-18-17(19(5-2)23(3)22-18)14-21-13-16-11-12-24-20(16)15-9-7-6-8-10-15/h6-10,16,20-21H,4-5,11-14H2,1-3H3/t16-,20-/m1/s1
InChIKeyYKOVBRYTZUYSIB-OXQOHEQNSA-N
MW327.47 g/mol
LogP3.41
Rot. Bonds7

About N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine

N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine (PubChem CID 129005053) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
PubChem CID129005053
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
SMILESCCc1nn(C)c(CC)c1CNC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C20H29N3O/c1-4-18-17(19(5-2)23(3)22-18)14-21-13-16-11-12-24-20(16)15-9-7-6-8-10-15/h6-10,16,20-21H,4-5,11-14H2,1-3H3/t16-,20-/m1/s1
InChIKeyYKOVBRYTZUYSIB-OXQOHEQNSA-N
XLogP3.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine with MolForge

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 129005258
(2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128970652
N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 129005007
N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368622
N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368719
N-[(3-methoxyphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 128998233
1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
CID 109482547
N-[[2-(3-bromophenyl)oxolan-3-yl]methyl]ethanamine
CID 79368720
N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79978075
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol
CID 109479705
3-benzyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 109405178
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine
CID 79368430

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine?
The IUPAC name of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine (CID 129005053) is N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine.
What is the SMILES notation for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine?
The canonical SMILES for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine is CCc1nn(C)c(CC)c1CNC[C@H]1CCO[C@@H]1c1ccccc1.
What is the InChIKey of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine?
The InChIKey is YKOVBRYTZUYSIB-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H29N3O/c1-4-18-17(19(5-2)23(3)22-18)14-21-13-16-11-12-24-20(16)15-9-7-6-8-10-15/h6-10,16,20-21H,4-5,11-14H2,1-3H3/t16-,20-/m1/s1.
What are the key properties of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine?
N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine has a molecular weight of 327.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine is sourced from PubChem (CID 129005053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).