N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine

C19H27N3O — CID 42197072

IUPACN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
SMILESCCN(Cc1cn[nH]c1-c1ccc(C)c(C)c1)C[C@H]1CCCO1
InChIInChI=1S/C19H27N3O/c1-4-22(13-18-6-5-9-23-18)12-17-11-20-21-19(17)16-8-7-14(2)15(3)10-16/h7-8,10-11,18H,4-6,9,12-13H2,1-3H3,(H,20,21)/t18-/m1/s1
InChIKeyUUBIODINCSCANT-GOSISDBHSA-N
MW313.45 g/mol
LogP3.69
Rot. Bonds6

About N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine

N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine (PubChem CID 42197072) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
PubChem CID42197072
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
SMILESCCN(Cc1cn[nH]c1-c1ccc(C)c(C)c1)C[C@H]1CCCO1
InChIInChI=1S/C19H27N3O/c1-4-22(13-18-6-5-9-23-18)12-17-11-20-21-19(17)16-8-7-14(2)15(3)10-16/h7-8,10-11,18H,4-6,9,12-13H2,1-3H3,(H,20,21)/t18-/m1/s1
InChIKeyUUBIODINCSCANT-GOSISDBHSA-N
XLogP3.69
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 91769778
(5R)-5-[[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 94092445
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 25274205
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
CID 107208296
N-[(2-bromo-4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646762
2-hydroxypropane-1,2,3-tricarboxylic acid;4-[4-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1H-pyrazol-5-yl]phenol
CID 171672174
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62182826
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62894833
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433743
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine (CID 42197072) is N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine is CCN(Cc1cn[nH]c1-c1ccc(C)c(C)c1)C[C@H]1CCCO1.
What is the InChIKey of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The InChIKey is UUBIODINCSCANT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-22(13-18-6-5-9-23-18)12-17-11-20-21-19(17)16-8-7-14(2)15(3)10-16/h7-8,10-11,18H,4-6,9,12-13H2,1-3H3,(H,20,21)/t18-/m1/s1.
What are the key properties of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine has a molecular weight of 313.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 42197072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).