2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine

C17H25N3 — CID 82693699

IUPAC2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCCc1cc(CC)n(CC(NC)c2ccc(C)cc2)n1
InChIInChI=1S/C17H25N3/c1-5-15-11-16(6-2)20(19-15)12-17(18-4)14-9-7-13(3)8-10-14/h7-11,17-18H,5-6,12H2,1-4H3
InChIKeyZNVHONBPABCSJV-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.28
Rot. Bonds6

About 2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine

2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine (PubChem CID 82693699) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
PubChem CID82693699
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCCc1cc(CC)n(CC(NC)c2ccc(C)cc2)n1
InChIInChI=1S/C17H25N3/c1-5-15-11-16(6-2)20(19-15)12-17(18-4)14-9-7-13(3)8-10-14/h7-11,17-18H,5-6,12H2,1-4H3
InChIKeyZNVHONBPABCSJV-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 105001550
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
1-(3,5-diethylpyrazol-1-yl)propan-2-ol
CID 82694148
1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001613
methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate
CID 82694733
1-(3,5-diethylpyrazol-1-yl)butan-2-ol
CID 82694356
2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one
CID 106548589
2-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105161681
(1R)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356977
1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999140
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
3-(3,5-diethylpyrazol-1-yl)-2-methylpropane-1-thiol
CID 82700558

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine (CID 82693699) is 2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine is CCc1cc(CC)n(CC(NC)c2ccc(C)cc2)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
The InChIKey is ZNVHONBPABCSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-15-11-16(6-2)20(19-15)12-17(18-4)14-9-7-13(3)8-10-14/h7-11,17-18H,5-6,12H2,1-4H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 82693699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).