N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine

C14H18IN3 — CID 115815706

IUPACN-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(I)cc1)c1cnn(CC)c1
InChIInChI=1S/C14H18IN3/c1-3-16-14(11-5-7-13(15)8-6-11)12-9-17-18(4-2)10-12/h5-10,14,16H,3-4H2,1-2H3
InChIKeyHWUZDMNPDDXEJZ-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.21
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine

N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine (PubChem CID 115815706) has the molecular formula C14H18IN3 and a molecular weight of 355.22 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine
PubChem CID115815706
Molecular FormulaC14H18IN3
Molecular Weight355.22 g/mol
Exact Mass355.05
IUPAC NameN-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(I)cc1)c1cnn(CC)c1
InChIInChI=1S/C14H18IN3/c1-3-16-14(11-5-7-13(15)8-6-11)12-9-17-18(4-2)10-12/h5-10,14,16H,3-4H2,1-2H3
InChIKeyHWUZDMNPDDXEJZ-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105109386
N-[(4-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816140
N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine
CID 62717263
N-[(3-chloro-4-iodophenyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 103214759
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 115816115
N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 105108938
N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815972
N-[(3,4-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807966
[(1-ethylpyrazol-4-yl)-(4-methylphenyl)methyl]hydrazine
CID 105194304
N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107945249
N-[(2-bromo-5-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815855
N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816038

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine (CID 115815706) is N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine is CCNC(c1ccc(I)cc1)c1cnn(CC)c1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine?
The InChIKey is HWUZDMNPDDXEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3/c1-3-16-14(11-5-7-13(15)8-6-11)12-9-17-18(4-2)10-12/h5-10,14,16H,3-4H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine?
N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine has a molecular weight of 355.22 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 115815706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).