N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine

C17H25N3O — CID 63975323

IUPACN-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(Cc1ccc(OC)cc1)NCC
InChIInChI=1S/C17H25N3O/c1-4-12-20-17(10-11-19-20)16(18-5-2)13-14-6-8-15(21-3)9-7-14/h6-11,16,18H,4-5,12-13H2,1-3H3
InChIKeyMFPMOQDHYWFUMU-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.19
Rot. Bonds8

About N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine

N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine (PubChem CID 63975323) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine
PubChem CID63975323
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(Cc1ccc(OC)cc1)NCC
InChIInChI=1S/C17H25N3O/c1-4-12-20-17(10-11-19-20)16(18-5-2)13-14-6-8-15(21-3)9-7-14/h6-11,16,18H,4-5,12-13H2,1-3H3
InChIKeyMFPMOQDHYWFUMU-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974908
N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63976175
N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63976177
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 63976154
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975748
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 114648398
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974700
N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63974743
2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65133056
N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 116720430
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105121981

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine (CID 63975323) is N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine is CCCn1nccc1C(Cc1ccc(OC)cc1)NCC.
What is the InChIKey of N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine?
The InChIKey is MFPMOQDHYWFUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-12-20-17(10-11-19-20)16(18-5-2)13-14-6-8-15(21-3)9-7-14/h6-11,16,18H,4-5,12-13H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine?
N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 63975323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).