4-(3-iodopyrazol-1-yl)cyclohexan-1-amine

C9H14IN3 — CID 175241714

IUPAC4-(3-iodopyrazol-1-yl)cyclohexan-1-amine
SMILESNC1CCC(n2ccc(I)n2)CC1
InChIInChI=1S/C9H14IN3/c10-9-5-6-13(12-9)8-3-1-7(11)2-4-8/h5-8H,1-4,11H2
InChIKeyXTDNXTVGRVAAKA-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.93
Rot. Bonds1

About 4-(3-iodopyrazol-1-yl)cyclohexan-1-amine

4-(3-iodopyrazol-1-yl)cyclohexan-1-amine (PubChem CID 175241714) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 4-(3-iodopyrazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-iodopyrazol-1-yl)cyclohexan-1-amine
PubChem CID175241714
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC Name4-(3-iodopyrazol-1-yl)cyclohexan-1-amine
SMILESNC1CCC(n2ccc(I)n2)CC1
InChIInChI=1S/C9H14IN3/c10-9-5-6-13(12-9)8-3-1-7(11)2-4-8/h5-8H,1-4,11H2
InChIKeyXTDNXTVGRVAAKA-UHFFFAOYSA-N
XLogP1.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.93
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-iodo-1-(oxetan-3-yl)pyrazole
CID 67342544
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-iodopyrazole
CID 134360989
1-(2-bicyclo[2.2.1]heptanyl)-3-iodopyrazole
CID 130494807
1-cyclopropylpyrazole-3-carboxamide
CID 129189141
4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride
CID 171992327
3-iodo-1-(oxetan-3-yl)pyrazole;5-iodo-1H-pyrazole
CID 158209715
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 107109167
N-(1-cyclopropylpyrazol-3-yl)propanamide
CID 170387094
1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol
CID 157067849
1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
(1-cyclopropylpyrazol-3-yl) carbamate
CID 175116070
1-(1-cyclopentylsulfonylpiperidin-4-yl)pyrazol-3-amine
CID 107109344

Frequently Asked Questions

What is the IUPAC name of 4-(3-iodopyrazol-1-yl)cyclohexan-1-amine?
The IUPAC name of 4-(3-iodopyrazol-1-yl)cyclohexan-1-amine (CID 175241714) is 4-(3-iodopyrazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-iodopyrazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(3-iodopyrazol-1-yl)cyclohexan-1-amine is NC1CCC(n2ccc(I)n2)CC1.
What is the InChIKey of 4-(3-iodopyrazol-1-yl)cyclohexan-1-amine?
The InChIKey is XTDNXTVGRVAAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3/c10-9-5-6-13(12-9)8-3-1-7(11)2-4-8/h5-8H,1-4,11H2.
What are the key properties of 4-(3-iodopyrazol-1-yl)cyclohexan-1-amine?
4-(3-iodopyrazol-1-yl)cyclohexan-1-amine has a molecular weight of 291.14 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodopyrazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 175241714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).