3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde

C24H25Br2F4IN8O2 — CID 164955834

About 3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde

3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde (PubChem CID 164955834) has the molecular formula C24H25Br2F4IN8O2 and a molecular weight of 820.22 g/mol. Its IUPAC name is 3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde.

Molecular Properties

• Compound Name: 3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde
• PubChem CID: 164955834
• Molecular Formula: C24H25Br2F4IN8O2
• Molecular Weight: 820.22 g/mol
• Exact Mass: 817.94
• IUPAC Name: 3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde
• SMILES: FC(F)n1cc(I)c(Br)n1.O=Cc1cnn(CC2CC2)c1.OC(c1cnn(CC2CC2)c1)c1cn(C(F)F)nc1Br
• InChI: InChI=1S/C12H13BrF2N4O.C8H10N2O.C4H2BrF2IN2/c13-11-9(6-19(17-11)12(14)15)10(20)8-3-16-18(5-8)4-7-1-2-7;11-6-8-3-9-10(5-8)4-7-1-2-7;5-3-2(8)1-10(9-3)4(6)7/h3,5-7,10,12,20H,1-2,4H2;3,5-7H,1-2,4H2;1,4H
• InChIKey: BDRJKWNHFBIWQJ-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 108.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.22
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde?

The IUPAC name of 3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde (CID 164955834) is 3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde.

What is the SMILES notation for 3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde?

The canonical SMILES for 3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde is FC(F)n1cc(I)c(Br)n1.O=Cc1cnn(CC2CC2)c1.OC(c1cnn(CC2CC2)c1)c1cn(C(F)F)nc1Br.

What is the InChIKey of 3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde?

The InChIKey is BDRJKWNHFBIWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N4O.C8H10N2O.C4H2BrF2IN2/c13-11-9(6-19(17-11)12(14)15)10(20)8-3-16-18(5-8)4-7-1-2-7;11-6-8-3-9-10(5-8)4-7-1-2-7;5-3-2(8)1-10(9-3)4(6)7/h3,5-7,10,12,20H,1-2,4H2;3,5-7H,1-2,4H2;1,4H.

What are the key properties of 3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde?

3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde has a molecular weight of 820.22 g/mol, XLogP of 6.48, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-(difluoromethyl)-4-iodopyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 164955834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).