N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine

C19H21N3 — CID 71862790

IUPACN-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine
SMILESCC(NCCc1ccccc1)c1ccccc1-n1cccn1
InChIInChI=1S/C19H21N3/c1-16(20-14-12-17-8-3-2-4-9-17)18-10-5-6-11-19(18)22-15-7-13-21-22/h2-11,13,15-16,20H,12,14H2,1H3
InChIKeyOSIRJAVGPDFTAE-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.77
Rot. Bonds6

About N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine

N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine (PubChem CID 71862790) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine
PubChem CID71862790
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine
SMILESCC(NCCc1ccccc1)c1ccccc1-n1cccn1
InChIInChI=1S/C19H21N3/c1-16(20-14-12-17-8-3-2-4-9-17)18-10-5-6-11-19(18)22-15-7-13-21-22/h2-11,13,15-16,20H,12,14H2,1H3
InChIKeyOSIRJAVGPDFTAE-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 43284732
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine;dihydrochloride
CID 154912415
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
(2R,3S)-N-(2-phenylethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95346375
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine
CID 95132547
1-[2-[(2S,3R)-3-fluorobutan-2-yl]phenyl]pyrazole
CID 143730060
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133491457
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine?
The IUPAC name of N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine (CID 71862790) is N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine.
What is the SMILES notation for N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine?
The canonical SMILES for N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine is CC(NCCc1ccccc1)c1ccccc1-n1cccn1.
What is the InChIKey of N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine?
The InChIKey is OSIRJAVGPDFTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-16(20-14-12-17-8-3-2-4-9-17)18-10-5-6-11-19(18)22-15-7-13-21-22/h2-11,13,15-16,20H,12,14H2,1H3.
What are the key properties of N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine?
N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine has a molecular weight of 291.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 71862790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).