4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium

C11H6F9N4OU- — CID 142526360

IUPAC4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium
SMILESCn1nc(C(F)(C(F)(F)F)C(F)(F)F)c(OC(F)F)c1-n1c[c-]cn1.[U]
InChIInChI=1S/C11H6F9N4O.U/c1-23-7(24-4-2-3-21-24)5(25-8(12)13)6(22-23)9(14,10(15,16)17)11(18,19)20;/h3-4,8H,1H3;/q-1;
InChIKeyFBGBZAMYNZVOKC-UHFFFAOYSA-N
MW619.21 g/mol
LogP3.30
Rot. Bonds4

About 4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium

4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium (PubChem CID 142526360) has the molecular formula C11H6F9N4OU- and a molecular weight of 619.21 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium
PubChem CID142526360
Molecular FormulaC11H6F9N4OU-
Molecular Weight619.21 g/mol
Exact Mass619.09
IUPAC Name4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium
SMILESCn1nc(C(F)(C(F)(F)F)C(F)(F)F)c(OC(F)F)c1-n1c[c-]cn1.[U]
InChIInChI=1S/C11H6F9N4O.U/c1-23-7(24-4-2-3-21-24)5(25-8(12)13)6(22-23)9(14,10(15,16)17)11(18,19)20;/h3-4,8H,1H3;/q-1;
InChIKeyFBGBZAMYNZVOKC-UHFFFAOYSA-N
XLogP3.30
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.21
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium?
The IUPAC name of 4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium (CID 142526360) is 4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium.
What is the SMILES notation for 4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium?
The canonical SMILES for 4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium is Cn1nc(C(F)(C(F)(F)F)C(F)(F)F)c(OC(F)F)c1-n1c[c-]cn1.[U].
What is the InChIKey of 4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium?
The InChIKey is FBGBZAMYNZVOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F9N4O.U/c1-23-7(24-4-2-3-21-24)5(25-8(12)13)6(22-23)9(14,10(15,16)17)11(18,19)20;/h3-4,8H,1H3;/q-1;.
What are the key properties of 4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium?
4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium has a molecular weight of 619.21 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-5-(4H-pyrazol-4-id-1-yl)pyrazole;uranium is sourced from PubChem (CID 142526360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).