1-(5-iodo-1-methylpyrazol-4-yl)ethanamine

C6H10IN3 — CID 131110893

IUPAC1-(5-iodo-1-methylpyrazol-4-yl)ethanamine
SMILESCC(N)c1cnn(C)c1I
InChIInChI=1S/C6H10IN3/c1-4(8)5-3-9-10(2)6(5)7/h3-4H,8H2,1-2H3
InChIKeyRSMIBUCTNJZZRH-UHFFFAOYSA-N
MW251.07 g/mol
LogP1.04
Rot. Bonds1

About 1-(5-iodo-1-methylpyrazol-4-yl)ethanamine

1-(5-iodo-1-methylpyrazol-4-yl)ethanamine (PubChem CID 131110893) has the molecular formula C6H10IN3 and a molecular weight of 251.07 g/mol. Its IUPAC name is 1-(5-iodo-1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-iodo-1-methylpyrazol-4-yl)ethanamine
PubChem CID131110893
Molecular FormulaC6H10IN3
Molecular Weight251.07 g/mol
Exact Mass250.99
IUPAC Name1-(5-iodo-1-methylpyrazol-4-yl)ethanamine
SMILESCC(N)c1cnn(C)c1I
InChIInChI=1S/C6H10IN3/c1-4(8)5-3-9-10(2)6(5)7/h3-4H,8H2,1-2H3
InChIKeyRSMIBUCTNJZZRH-UHFFFAOYSA-N
XLogP1.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 51.04
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

1-(5-iodo-1-methylpyrazol-4-yl)but-3-en-1-amine
CID 131110894
[cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine
CID 131107647
cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol
CID 130637937
1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 131031515
1-[5-(4-methoxyphenyl)-1-methylpyrazol-4-yl]ethanamine
CID 105489932
(1S)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637321
(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637320
4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole
CID 130690175
5-bromo-1-methyl-4-propan-2-ylpyrazole
CID 84671203
1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine
CID 105497256
1-(1,5-diethylpyrazol-4-yl)ethanamine
CID 23005787
5-methoxy-1-methyl-4-propan-2-ylpyrazole
CID 146481002

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(5-iodo-1-methylpyrazol-4-yl)ethanamine (CID 131110893) is 1-(5-iodo-1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-iodo-1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-iodo-1-methylpyrazol-4-yl)ethanamine is CC(N)c1cnn(C)c1I.
What is the InChIKey of 1-(5-iodo-1-methylpyrazol-4-yl)ethanamine?
The InChIKey is RSMIBUCTNJZZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN3/c1-4(8)5-3-9-10(2)6(5)7/h3-4H,8H2,1-2H3.
What are the key properties of 1-(5-iodo-1-methylpyrazol-4-yl)ethanamine?
1-(5-iodo-1-methylpyrazol-4-yl)ethanamine has a molecular weight of 251.07 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 131110893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).