N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine

C17H25N3 — CID 102812685

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1cn(C)nc1CC
InChIInChI=1S/C17H25N3/c1-5-13-9-8-10-14(11-13)17(18-7-3)15-12-20(4)19-16(15)6-2/h8-12,17-18H,5-7H2,1-4H3
InChIKeyODMHUKFZLLLZHE-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.24
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine

N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine (PubChem CID 102812685) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine
PubChem CID102812685
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1cn(C)nc1CC
InChIInChI=1S/C17H25N3/c1-5-13-9-8-10-14(11-13)17(18-7-3)15-12-20(4)19-16(15)6-2/h8-12,17-18H,5-7H2,1-4H3
InChIKeyODMHUKFZLLLZHE-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 102812063
N-[(3-ethyl-6-methylpyridazin-4-yl)-(3-ethylphenyl)methyl]ethanamine
CID 105171145
N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107976676
N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine
CID 102812013
1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 102812002
N-[(1,3-dimethylpyrazol-4-yl)-(3-fluorophenyl)methyl]ethanamine
CID 102803011
N-[(3-ethyl-1-methylpyrazol-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 102812742
N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107102860
N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine
CID 106858285
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine
CID 102812318
N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018537
N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 102812296

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine (CID 102812685) is N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine is CCNC(c1cccc(CC)c1)c1cn(C)nc1CC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine?
The InChIKey is ODMHUKFZLLLZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-13-9-8-10-14(11-13)17(18-7-3)15-12-20(4)19-16(15)6-2/h8-12,17-18H,5-7H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 102812685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).