N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine

C16H23N3O — CID 63976177

IUPACN-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(COc1ccccc1)NCC
InChIInChI=1S/C16H23N3O/c1-3-12-19-16(10-11-18-19)15(17-4-2)13-20-14-8-6-5-7-9-14/h5-11,15,17H,3-4,12-13H2,1-2H3
InChIKeyVSDDUZIIZCITIV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.02
Rot. Bonds8

About N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine

N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine (PubChem CID 63976177) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine
PubChem CID63976177
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(COc1ccccc1)NCC
InChIInChI=1S/C16H23N3O/c1-3-12-19-16(10-11-18-19)15(17-4-2)13-20-14-8-6-5-7-9-14/h5-11,15,17H,3-4,12-13H2,1-2H3
InChIKeyVSDDUZIIZCITIV-UHFFFAOYSA-N
XLogP3.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 63976154
[1-(2-ethylpyrazol-3-yl)-2-phenoxyethyl]hydrazine
CID 105213049
2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975748
N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975323
N-ethyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974908
2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65133056
N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 105148237
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine
CID 63976814
1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
CID 63416220
N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975556
N-methyl-1-(2-propylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148151

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine (CID 63976177) is N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine is CCCn1nccc1C(COc1ccccc1)NCC.
What is the InChIKey of N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine?
The InChIKey is VSDDUZIIZCITIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-12-19-16(10-11-18-19)15(17-4-2)13-20-14-8-6-5-7-9-14/h5-11,15,17H,3-4,12-13H2,1-2H3.
What are the key properties of N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine?
N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 63976177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).