N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine

C17H23N3O — CID 75388154

IUPACN-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine
SMILESCn1cc(CNC(CC2CCOC2)c2ccccc2)cn1
InChIInChI=1S/C17H23N3O/c1-20-12-15(11-19-20)10-18-17(9-14-7-8-21-13-14)16-5-3-2-4-6-16/h2-6,11-12,14,17-18H,7-10,13H2,1H3
InChIKeyMSEPEFDNJIFKIB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.68
Rot. Bonds6

About N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine

N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine (PubChem CID 75388154) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine
PubChem CID75388154
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine
SMILESCn1cc(CNC(CC2CCOC2)c2ccccc2)cn1
InChIInChI=1S/C17H23N3O/c1-20-12-15(11-19-20)10-18-17(9-14-7-8-21-13-14)16-5-3-2-4-6-16/h2-6,11-12,14,17-18H,7-10,13H2,1H3
InChIKeyMSEPEFDNJIFKIB-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorobenzyl)[(1-isopropyl-1H-pyrazol-4-yl)methyl](tetrahydrofuran-2-ylmethyl)amine
CID 46998990
({(2R*,5S*)-5-[3-(aminomethyl)benzyl]tetrahydrofuran-2-yl}methyl)ethyl[(1-methyl-1H-pyrazol-4-yl)methyl]amine
CID 56906671
N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 84587706
1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 71855414
1-(oxan-4-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]methanamine
CID 72104704
[(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol
CID 86787511
N-[(1-ethenylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)-1-phenylmethanamine
CID 121534893
[(2R,4S,5S)-5-(2-fluorophenyl)-1-methyl-4-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-yl]methanol
CID 164625669
(3S)-2,2-dimethyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]oxolan-3-amine
CID 164630430
N'-[[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117673415
4-(2,3-Difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole
CID 175453147
N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745564

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine (CID 75388154) is N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine is Cn1cc(CNC(CC2CCOC2)c2ccccc2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine?
The InChIKey is MSEPEFDNJIFKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20-12-15(11-19-20)10-18-17(9-14-7-8-21-13-14)16-5-3-2-4-6-16/h2-6,11-12,14,17-18H,7-10,13H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine?
N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine is sourced from PubChem (CID 75388154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).