5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole

C10H14IN3 — CID 90286653

IUPAC5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole
SMILESIc1cc(C2CNC2)n(CC2CC2)n1
InChIInChI=1S/C10H14IN3/c11-10-3-9(8-4-12-5-8)14(13-10)6-7-1-2-7/h3,7-8,12H,1-2,4-6H2
InChIKeyQNFSRIVOMSDFEG-UHFFFAOYSA-N
MW303.15 g/mol
LogP1.58
Rot. Bonds3

About 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole

5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole (PubChem CID 90286653) has the molecular formula C10H14IN3 and a molecular weight of 303.15 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole
PubChem CID90286653
Molecular FormulaC10H14IN3
Molecular Weight303.15 g/mol
Exact Mass303.02
IUPAC Name5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole
SMILESIc1cc(C2CNC2)n(CC2CC2)n1
InChIInChI=1S/C10H14IN3/c11-10-3-9(8-4-12-5-8)14(13-10)6-7-1-2-7/h3,7-8,12H,1-2,4-6H2
InChIKeyQNFSRIVOMSDFEG-UHFFFAOYSA-N
XLogP1.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole?
The IUPAC name of 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole (CID 90286653) is 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole is Ic1cc(C2CNC2)n(CC2CC2)n1.
What is the InChIKey of 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole?
The InChIKey is QNFSRIVOMSDFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3/c11-10-3-9(8-4-12-5-8)14(13-10)6-7-1-2-7/h3,7-8,12H,1-2,4-6H2.
What are the key properties of 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole?
5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole has a molecular weight of 303.15 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-iodopyrazole is sourced from PubChem (CID 90286653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).