N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine

C18H27N3 — CID 61238667

IUPACN-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-n1nc(C)c(CC)c1C
InChIInChI=1S/C18H27N3/c1-6-12-19-13(3)17-10-8-9-11-18(17)21-15(5)16(7-2)14(4)20-21/h8-11,13,19H,6-7,12H2,1-5H3
InChIKeyMYOPXIQJXVLTKW-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.11
Rot. Bonds6

About N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine

N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 61238667) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID61238667
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-n1nc(C)c(CC)c1C
InChIInChI=1S/C18H27N3/c1-6-12-19-13(3)17-10-8-9-11-18(17)21-15(5)16(7-2)14(4)20-21/h8-11,13,19H,6-7,12H2,1-5H3
InChIKeyMYOPXIQJXVLTKW-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 62129571
N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine
CID 115995433
1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 62129570
N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine
CID 63409223
N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 83109750
4-(chloromethyl)-3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82091044
[3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine
CID 82085269
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238668
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 61237598
N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43284758
N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
CID 43284031
N-[1-(2-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 43284321

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine (CID 61238667) is N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1-n1nc(C)c(CC)c1C.
What is the InChIKey of N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is MYOPXIQJXVLTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-12-19-13(3)17-10-8-9-11-18(17)21-15(5)16(7-2)14(4)20-21/h8-11,13,19H,6-7,12H2,1-5H3.
What are the key properties of N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 61238667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).