1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine

C16H21N3 — CID 79170870

IUPAC1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-n2ccc(C3CC3)n2)c1
InChIInChI=1S/C16H21N3/c1-3-17-12(2)14-5-4-6-15(11-14)19-10-9-16(18-19)13-7-8-13/h4-6,9-13,17H,3,7-8H2,1-2H3
InChIKeyHYZCFJBYIASCGH-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.42
Rot. Bonds5

About 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine

1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine (PubChem CID 79170870) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine
PubChem CID79170870
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-n2ccc(C3CC3)n2)c1
InChIInChI=1S/C16H21N3/c1-3-17-12(2)14-5-4-6-15(11-14)19-10-9-16(18-19)13-7-8-13/h4-6,9-13,17H,3,7-8H2,1-2H3
InChIKeyHYZCFJBYIASCGH-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 79170582
N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine
CID 79678083
N-[1-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]propan-1-amine
CID 79166250
1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82694896
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one
CID 103124633
1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 65295071
(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 97334226
1-[3-[1-(propylamino)ethyl]phenyl]-1,2,4-triazole-3-carbonitrile
CID 79170220
N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine
CID 79170940
N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103903267

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine (CID 79170870) is 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine is CCNC(C)c1cccc(-n2ccc(C3CC3)n2)c1.
What is the InChIKey of 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The InChIKey is HYZCFJBYIASCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-17-12(2)14-5-4-6-15(11-14)19-10-9-16(18-19)13-7-8-13/h4-6,9-13,17H,3,7-8H2,1-2H3.
What are the key properties of 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine?
1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 79170870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).