1-cyclopropyl-4-iodopyrazol-5-amine

C6H8IN3 — CID 118075725

IUPAC1-cyclopropyl-4-iodopyrazol-5-amine
SMILESNc1c(I)cnn1C1CC1
InChIInChI=1S/C6H8IN3/c7-5-3-9-10(6(5)8)4-1-2-4/h3-4H,1-2,8H2
InChIKeyFJNCZIQRIWBACA-UHFFFAOYSA-N
MW249.05 g/mol
LogP1.40
Rot. Bonds1

About 1-cyclopropyl-4-iodopyrazol-5-amine

1-cyclopropyl-4-iodopyrazol-5-amine (PubChem CID 118075725) has the molecular formula C6H8IN3 and a molecular weight of 249.05 g/mol. Its IUPAC name is 1-cyclopropyl-4-iodopyrazol-5-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-iodopyrazol-5-amine
PubChem CID118075725
Molecular FormulaC6H8IN3
Molecular Weight249.05 g/mol
Exact Mass248.98
IUPAC Name1-cyclopropyl-4-iodopyrazol-5-amine
SMILESNc1c(I)cnn1C1CC1
InChIInChI=1S/C6H8IN3/c7-5-3-9-10(6(5)8)4-1-2-4/h3-4H,1-2,8H2
InChIKeyFJNCZIQRIWBACA-UHFFFAOYSA-N
XLogP1.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 51.40
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-(azetidin-3-yl)-4-iodopyrazol-5-amine
CID 165484876
1-cyclopropyl-5-fluoro-4-iodopyrazole
CID 167721010
4-bromo-1-cyclopropylpyrazol-5-amine
CID 83382905
4-methyl-1-(4-methylcyclohexyl)pyrazol-5-amine
CID 43148156
4-iodo-1-(2-methylthian-3-yl)pyrazol-5-amine
CID 79957158
1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-amine
CID 126971873
1-cyclopropyl-5-fluoropyrazol-4-amine
CID 115011395
1-(4,4-dimethylthian-3-yl)-4-iodopyrazol-5-amine
CID 79948546
1-cyclopentyl-5-propan-2-ylpyrazol-4-amine
CID 66440021
4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
CID 166745303
4-methyl-1-(6-methyloxan-3-yl)pyrazol-5-amine
CID 164655672
1-cyclopropyl-4,5-dimethylpyrazole;ethane
CID 167523032

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-iodopyrazol-5-amine?
The IUPAC name of 1-cyclopropyl-4-iodopyrazol-5-amine (CID 118075725) is 1-cyclopropyl-4-iodopyrazol-5-amine.
What is the SMILES notation for 1-cyclopropyl-4-iodopyrazol-5-amine?
The canonical SMILES for 1-cyclopropyl-4-iodopyrazol-5-amine is Nc1c(I)cnn1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-iodopyrazol-5-amine?
The InChIKey is FJNCZIQRIWBACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3/c7-5-3-9-10(6(5)8)4-1-2-4/h3-4H,1-2,8H2.
What are the key properties of 1-cyclopropyl-4-iodopyrazol-5-amine?
1-cyclopropyl-4-iodopyrazol-5-amine has a molecular weight of 249.05 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-iodopyrazol-5-amine is sourced from PubChem (CID 118075725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).