N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine

C15H20IN3 — CID 115858269

IUPACN-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(I)cc1)c1ccnn1CC
InChIInChI=1S/C15H20IN3/c1-3-10-17-15(12-5-7-13(16)8-6-12)14-9-11-18-19(14)4-2/h5-9,11,15,17H,3-4,10H2,1-2H3
InChIKeyTZTCELHKGFRZQS-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.60
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine

N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine (PubChem CID 115858269) has the molecular formula C15H20IN3 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine
PubChem CID115858269
Molecular FormulaC15H20IN3
Molecular Weight369.25 g/mol
Exact Mass369.07
IUPAC NameN-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(I)cc1)c1ccnn1CC
InChIInChI=1S/C15H20IN3/c1-3-10-17-15(12-5-7-13(16)8-6-12)14-9-11-18-19(14)4-2/h5-9,11,15,17H,3-4,10H2,1-2H3
InChIKeyTZTCELHKGFRZQS-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.60
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

N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
CID 63976584
N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 63976367
N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923434
N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857934
N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316520
N-[(3-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115858232
N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63976818
N-[(2,5-dibromophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857989
N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63961802
N-[(3-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64713123
N-[(4-bromophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43494506
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105148511

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine (CID 115858269) is N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine is CCCNC(c1ccc(I)cc1)c1ccnn1CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine?
The InChIKey is TZTCELHKGFRZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3/c1-3-10-17-15(12-5-7-13(16)8-6-12)14-9-11-18-19(14)4-2/h5-9,11,15,17H,3-4,10H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine?
N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine has a molecular weight of 369.25 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115858269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).