N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine

C14H19N3 — CID 112678294

IUPACN-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
SMILESCCNC(CC)c1ccccc1-n1cccn1
InChIInChI=1S/C14H19N3/c1-3-13(15-4-2)12-8-5-6-9-14(12)17-11-7-10-16-17/h5-11,13,15H,3-4H2,1-2H3
InChIKeyVEYVNJBYBKYNIV-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.93
Rot. Bonds5

About N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine

N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine (PubChem CID 112678294) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
PubChem CID112678294
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
SMILESCCNC(CC)c1ccccc1-n1cccn1
InChIInChI=1S/C14H19N3/c1-3-13(15-4-2)12-8-5-6-9-14(12)17-11-7-10-16-17/h5-11,13,15H,3-4H2,1-2H3
InChIKeyVEYVNJBYBKYNIV-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 43284732
1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678321
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678203
N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 71862790
ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
CID 117367533
1-[2-[(2S,3R)-3-fluorobutan-2-yl]phenyl]pyrazole
CID 143730060
(1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol
CID 96762406
1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one
CID 115995191
N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine
CID 115995433
1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115995440
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine (CID 112678294) is N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine is CCNC(CC)c1ccccc1-n1cccn1.
What is the InChIKey of N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine?
The InChIKey is VEYVNJBYBKYNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-13(15-4-2)12-8-5-6-9-14(12)17-11-7-10-16-17/h5-11,13,15H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine?
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.93, 5 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)propan-1-amine is sourced from PubChem (CID 112678294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).