(1-ethyl-3-iodopyrazol-5-yl)methanamine

C6H10IN3 — CID 154881848

IUPAC(1-ethyl-3-iodopyrazol-5-yl)methanamine
SMILESCCn1nc(I)cc1CN
InChIInChI=1S/C6H10IN3/c1-2-10-5(4-8)3-6(7)9-10/h3H,2,4,8H2,1H3
InChIKeyOYQTUTCGHMCRQI-UHFFFAOYSA-N
MW251.07 g/mol
LogP0.97
Rot. Bonds2

About (1-ethyl-3-iodopyrazol-5-yl)methanamine

(1-ethyl-3-iodopyrazol-5-yl)methanamine (PubChem CID 154881848) has the molecular formula C6H10IN3 and a molecular weight of 251.07 g/mol. Its IUPAC name is (1-ethyl-3-iodopyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-3-iodopyrazol-5-yl)methanamine
PubChem CID154881848
Molecular FormulaC6H10IN3
Molecular Weight251.07 g/mol
Exact Mass250.99
IUPAC Name(1-ethyl-3-iodopyrazol-5-yl)methanamine
SMILESCCn1nc(I)cc1CN
InChIInChI=1S/C6H10IN3/c1-2-10-5(4-8)3-6(7)9-10/h3H,2,4,8H2,1H3
InChIKeyOYQTUTCGHMCRQI-UHFFFAOYSA-N
XLogP0.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 50.97
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

[3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761577
[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84746375
[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
CID 84761591
1-ethyl-3-iodo-5-methoxypyrazole
CID 162723705
(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)methanamine
CID 121211007
[1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine
CID 84761660
[3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84746367
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702643
[3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761580
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
(1-ethyl-5-methylpyrazol-3-yl)methanamine
CID 23005647
(5-chloro-1-ethylpyrazol-3-yl)methanamine
CID 176508791

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-iodopyrazol-5-yl)methanamine?
The IUPAC name of (1-ethyl-3-iodopyrazol-5-yl)methanamine (CID 154881848) is (1-ethyl-3-iodopyrazol-5-yl)methanamine.
What is the SMILES notation for (1-ethyl-3-iodopyrazol-5-yl)methanamine?
The canonical SMILES for (1-ethyl-3-iodopyrazol-5-yl)methanamine is CCn1nc(I)cc1CN.
What is the InChIKey of (1-ethyl-3-iodopyrazol-5-yl)methanamine?
The InChIKey is OYQTUTCGHMCRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN3/c1-2-10-5(4-8)3-6(7)9-10/h3H,2,4,8H2,1H3.
What are the key properties of (1-ethyl-3-iodopyrazol-5-yl)methanamine?
(1-ethyl-3-iodopyrazol-5-yl)methanamine has a molecular weight of 251.07 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-iodopyrazol-5-yl)methanamine is sourced from PubChem (CID 154881848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).