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

C13H17N3 — CID 43284732

IUPACN-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine
SMILESCCNC(C)c1ccccc1-n1cccn1
InChIInChI=1S/C13H17N3/c1-3-14-11(2)12-7-4-5-8-13(12)16-10-6-9-15-16/h4-11,14H,3H2,1-2H3
InChIKeyJMCXZIUUUYYLJF-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.54
Rot. Bonds4

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

N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine (PubChem CID 43284732) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine
PubChem CID43284732
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine
SMILESCCNC(C)c1ccccc1-n1cccn1
InChIInChI=1S/C13H17N3/c1-3-14-11(2)12-7-4-5-8-13(12)16-10-6-9-15-16/h4-11,14H,3H2,1-2H3
InChIKeyJMCXZIUUUYYLJF-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 71862790
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine;dihydrochloride
CID 154912415
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine
CID 95132547
1-[2-[(2S,3R)-3-fluorobutan-2-yl]phenyl]pyrazole
CID 143730060
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
1-[2-[1-(ethylamino)ethyl]phenyl]imidazolidin-2-one
CID 65295461
3-(2-methylpropyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133491457
(1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 97089159
ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
CID 117367533
(1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol
CID 96762406

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine (CID 43284732) is N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine is CCNC(C)c1ccccc1-n1cccn1.
What is the InChIKey of N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine?
The InChIKey is JMCXZIUUUYYLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-14-11(2)12-7-4-5-8-13(12)16-10-6-9-15-16/h4-11,14H,3H2,1-2H3.
What are the key properties of N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine?
N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 43284732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).