N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine

C19H26FN3O — CID 46962826

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCn1cc(CN(Cc2ccc(F)cc2)CC2CCCO2)c(C)n1
InChIInChI=1S/C19H26FN3O/c1-3-23-13-17(15(2)21-23)12-22(14-19-5-4-10-24-19)11-16-6-8-18(20)9-7-16/h6-9,13,19H,3-5,10-12,14H2,1-2H3
InChIKeyIHUAQMBMCIWHQE-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.53
Rot. Bonds7

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 46962826) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID46962826
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCn1cc(CN(Cc2ccc(F)cc2)CC2CCCO2)c(C)n1
InChIInChI=1S/C19H26FN3O/c1-3-23-13-17(15(2)21-23)12-22(14-19-5-4-10-24-19)11-16-6-8-18(20)9-7-16/h6-9,13,19H,3-5,10-12,14H2,1-2H3
InChIKeyIHUAQMBMCIWHQE-UHFFFAOYSA-N
XLogP3.53
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497058
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46954474
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 46998990
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 43818512
1-cyclopropyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
CID 46986198
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine
CID 46954471
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 43818433
2-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol
CID 46984901
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818718
N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962825
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579
1-(1-cyclopentylpiperidin-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25454389

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 46962826) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine is CCn1cc(CN(Cc2ccc(F)cc2)CC2CCCO2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is IHUAQMBMCIWHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-3-23-13-17(15(2)21-23)12-22(14-19-5-4-10-24-19)11-16-6-8-18(20)9-7-16/h6-9,13,19H,3-5,10-12,14H2,1-2H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 331.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 46962826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).